CID 5279192

Schembl643977

Structural Information

Molecular Formula
C24H22N4O2
SMILES
CC1=CC(=CC=C1)CNC(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C24H22N4O2/c1-16-8-7-9-17(14-16)15-25-24(30)28-22-23(29)26-20-13-6-5-12-19(20)21(27-22)18-10-3-2-4-11-18/h2-14,22H,15H2,1H3,(H,26,29)(H2,25,28,30)
InChIKey
XVZZBFZEHSFGGB-UHFFFAOYSA-N
Compound name
1-[(3-methylphenyl)methyl]-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

398.1743 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18158 200.1
[M+Na]+ 421.16352 204.9
[M-H]- 397.16702 207.6
[M+NH4]+ 416.20812 207.3
[M+K]+ 437.13746 203.2
[M+H-H2O]+ 381.17156 189.4
[M+HCOO]- 443.17250 217.7
[M+CH3COO]- 457.18815 207.4
[M+Na-2H]- 419.14897 203.7
[M]+ 398.17375 194.6
[M]- 398.17485 194.6
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.