CID 389310

Nsc685188

Structural Information

Molecular Formula
C23H23N3O8
SMILES
CC1=CN(C(=O)NC1=O)C(C)OCCN(C(=O)OC2=CC=CC=C2)OC(=O)OC3=CC=CC=C3
InChI
InChI=1S/C23H23N3O8/c1-16-15-25(21(28)24-20(16)27)17(2)31-14-13-26(22(29)32-18-9-5-3-6-10-18)34-23(30)33-19-11-7-4-8-12-19/h3-12,15,17H,13-14H2,1-2H3,(H,24,27,28)
InChIKey
BPFBEIBBRWQCFP-UHFFFAOYSA-N
Compound name
[2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl-phenoxycarbonylamino] phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.14853 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.15581 205.4
[M+Na]+ 492.13775 209.3
[M-H]- 468.14125 212.4
[M+NH4]+ 487.18235 208.9
[M+K]+ 508.11169 208.5
[M+H-H2O]+ 452.14579 193.0
[M+HCOO]- 514.14673 224.3
[M+CH3COO]- 528.16238 233.4
[M+Na-2H]- 490.12320 206.2
[M]+ 469.14798 211.6
[M]- 469.14908 211.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.