CID 5279166

1-(2-methoxy-phenyl)-3-(2-oxo-5-phenyl-2,3-dihydro-1h-benzo[e][1,4]diazepin-3-yl)-urea

Structural Information

Molecular Formula
C23H20N4O3
SMILES
COC1=CC=CC=C1NC(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C23H20N4O3/c1-30-19-14-8-7-13-18(19)25-23(29)27-21-22(28)24-17-12-6-5-11-16(17)20(26-21)15-9-3-2-4-10-15/h2-14,21H,1H3,(H,24,28)(H2,25,27,29)
InChIKey
XSFCZBRVCMSPFT-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-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

400.15353 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16081 198.5
[M+Na]+ 423.14275 203.5
[M-H]- 399.14625 206.3
[M+NH4]+ 418.18735 205.5
[M+K]+ 439.11669 202.8
[M+H-H2O]+ 383.15079 187.7
[M+HCOO]- 445.15173 216.6
[M+CH3COO]- 459.16738 206.1
[M+Na-2H]- 421.12820 202.7
[M]+ 400.15298 194.0
[M]- 400.15408 194.0
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