CID 166444

74441-05-7

Structural Information

Molecular Formula
C25H21N7O5
SMILES
CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C25H21N7O5/c1-13(33)21(24(36)28-18-10-11-19-20(12-18)30-25(37)29-19)32-31-17-8-4-15(5-9-17)23(35)27-16-6-2-14(3-7-16)22(26)34/h2-12,21H,1H3,(H2,26,34)(H,27,35)(H,28,36)(H2,29,30,37)
InChIKey
PXMLTVJEYHGPEH-UHFFFAOYSA-N
Compound name
4-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

499.16043 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.16771 211.7
[M+Na]+ 522.14965 219.1
[M+NH4]+ 517.19425 213.0
[M+K]+ 538.12359 218.5
[M-H]- 498.15315 215.5
[M+Na-2H]- 520.13510 217.2
[M]+ 499.15988 212.9
[M]- 499.16098 212.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe