CID 5279374

Schembl641958

Structural Information

Molecular Formula
C23H20N4O2
SMILES
CC1=CC(=CC=C1)NC(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C23H20N4O2/c1-15-8-7-11-17(14-15)24-23(29)27-21-22(28)25-19-13-6-5-12-18(19)20(26-21)16-9-3-2-4-10-16/h2-14,21H,1H3,(H,25,28)(H2,24,27,29)
InChIKey
CDVUAEBMHYNGEC-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)-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

25
Patents

384.15863 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16591 195.9
[M+Na]+ 407.14785 201.2
[M-H]- 383.15135 203.7
[M+NH4]+ 402.19245 203.7
[M+K]+ 423.12179 199.7
[M+H-H2O]+ 367.15589 185.5
[M+HCOO]- 429.15683 214.0
[M+CH3COO]- 443.17248 203.7
[M+Na-2H]- 405.13330 200.1
[M]+ 384.15808 190.2
[M]- 384.15918 190.2
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