PubChemLite - 71510-48-0 (C23H33NO7)

Structural Information

Molecular Formula

SMILES

CC1=CC(=O)C2C(O1)C(C3C(C2OC(C)C(=O)OCCN4CCCCC4)C=CO3)OC

InChI

InChI=1S/C23H33NO7/c1-14-13-17(25)18-19(16-7-11-28-20(16)22(27-3)21(18)30-14)31-15(2)23(26)29-12-10-24-8-5-4-6-9-24/h7,11,13,15-16,18-22H,4-6,8-10,12H2,1-3H3

InChIKey

UTYDNIVFKFMCJY-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylethyl 2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]propanoate

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]+	436.23298	203.6
[M+Na]+	458.21492	205.2
[M-H]-	434.21842	209.6
[M+NH4]+	453.25952	212.1
[M+K]+	474.18886	205.6
[M+H-H2O]+	418.22296	195.4
[M+HCOO]-	480.22390	211.0
[M+CH3COO]-	494.23955	230.7
[M+Na-2H]-	456.20037	199.6
[M]+	435.22515	204.9
[M]-	435.22625	204.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

436.23298

203.6

[M+Na]+

458.21492

205.2

[M-H]-

434.21842

209.6

[M+NH4]+

453.25952

212.1

[M+K]+

474.18886

205.6

[M+H-H2O]+

418.22296

195.4

[M+HCOO]-

480.22390

211.0

[M+CH3COO]-

494.23955

230.7

[M+Na-2H]-

456.20037

199.6

[M]+

435.22515

204.9

[M]-

435.22625

204.9

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

71510-48-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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