PubChemLite - Nsc693088 (C30H29N3O8)

Structural Information

Molecular Formula

SMILES

CC1=C(N(C(=O)NC1=O)C(C)OCCN(C(=O)OC2=CC=CC=C2)OC(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H29N3O8/c1-21-26(20-23-12-6-3-7-13-23)33(28(35)31-27(21)34)22(2)38-19-18-32(29(36)39-24-14-8-4-9-15-24)41-30(37)40-25-16-10-5-11-17-25/h3-17,22H,18-20H2,1-2H3,(H,31,34,35)

InChIKey

SZHWNXZOOPAZMP-UHFFFAOYSA-N

Compound name

[2-[1-(6-benzyl-5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl-phenoxycarbonylamino] phenyl carbonate

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]+	560.20271	230.5
[M+Na]+	582.18465	232.7
[M-H]-	558.18815	239.8
[M+NH4]+	577.22925	229.5
[M+K]+	598.15859	230.8
[M+H-H2O]+	542.19269	215.9
[M+HCOO]-	604.19363	247.6
[M+CH3COO]-	618.20928	251.0
[M+Na-2H]-	580.17010	229.6
[M]+	559.19488	236.2
[M]-	559.19598	236.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

560.20271

230.5

[M+Na]+

582.18465

232.7

[M-H]-

558.18815

239.8

[M+NH4]+

577.22925

229.5

[M+K]+

598.15859

230.8

[M+H-H2O]+

542.19269

215.9

[M+HCOO]-

604.19363

247.6

[M+CH3COO]-

618.20928

251.0

[M+Na-2H]-

580.17010

229.6

[M]+

559.19488

236.2

[M]-

559.19598

236.2

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

Nsc693088

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe