PubChemLite - 108914-38-1 (C32H30N2O8)

Structural Information

Molecular Formula

SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C32H30N2O8/c1-20-27(30(35)39-3)29(22-11-10-16-25(17-22)34(37)38)28(21(2)33-20)31(36)40-18-26-19-41-32(42-26,23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-17,26,29,33H,18-19H2,1-3H3

InChIKey

WPBOUGKWBNHOEQ-UHFFFAOYSA-N

Compound name

5-O-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	571.20748	237.9
[M+Na]+	593.18942	238.6
[M-H]-	569.19292	251.5
[M+NH4]+	588.23402	237.6
[M+K]+	609.16336	233.5
[M+H-H2O]+	553.19746	229.8
[M+HCOO]-	615.19840	251.0
[M+CH3COO]-	629.21405	245.2
[M+Na-2H]-	591.17487	236.4
[M]+	570.19965	237.8
[M]-	570.20075	237.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

571.20748

237.9

[M+Na]+

593.18942

238.6

[M-H]-

569.19292

251.5

[M+NH4]+

588.23402

237.6

[M+K]+

609.16336

233.5

[M+H-H2O]+

553.19746

229.8

[M+HCOO]-

615.19840

251.0

[M+CH3COO]-

629.21405

245.2

[M+Na-2H]-

591.17487

236.4

[M]+

570.19965

237.8

[M]-

570.20075

237.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

108914-38-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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