CID 116762

Dtxsid20887875

Structural Information

Molecular Formula
C19H17N5O5
SMILES
CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=CC=CC=C3C(=O)OC
InChI
InChI=1S/C19H17N5O5/c1-10(25)16(24-23-13-6-4-3-5-12(13)18(27)29-2)17(26)20-11-7-8-14-15(9-11)22-19(28)21-14/h3-9,16H,1-2H3,(H,20,26)(H2,21,22,28)
InChIKey
DVGMJOMUBTVRAO-UHFFFAOYSA-N
Compound name
methyl 2-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

395.12296 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.13024 187.8
[M+Na]+ 418.11218 193.6
[M-H]- 394.11568 193.8
[M+NH4]+ 413.15678 197.4
[M+K]+ 434.08612 190.8
[M+H-H2O]+ 378.12022 178.0
[M+HCOO]- 440.12116 210.7
[M+CH3COO]- 454.13681 227.4
[M+Na-2H]- 416.09763 190.7
[M]+ 395.12241 190.6
[M]- 395.12351 190.6
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

patents stripe