CID 377435

Nsc664944

Structural Information

Molecular Formula
C18H17N3O7
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)ON3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H17N3O7/c1-9-7-20(18(26)19-15(9)23)14-6-12(13(8-22)27-14)28-21-16(24)10-4-2-3-5-11(10)17(21)25/h2-5,7,12-14,22H,6,8H2,1H3,(H,19,23,26)
InChIKey
YJFHXGIPDMWAJW-UHFFFAOYSA-N
Compound name
2-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.10666 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.11394 185.6
[M+Na]+ 410.09588 195.6
[M-H]- 386.09938 192.4
[M+NH4]+ 405.14048 195.0
[M+K]+ 426.06982 191.9
[M+H-H2O]+ 370.10392 177.8
[M+HCOO]- 432.10486 200.7
[M+CH3COO]- 446.12051 215.4
[M+Na-2H]- 408.08133 182.9
[M]+ 387.10611 188.6
[M]- 387.10721 188.6
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.