CID 5311201

118101-09-0

Structural Information

Molecular Formula
C24H22N4O2
SMILES
CC1=CC(=CC=C1)NC(=O)N[C@H]2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C
InChI
InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
InChIKey
KDFQABSFVYLGPM-QFIPXVFZSA-N
Compound name
1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

428
References

68
Patents

398.1743 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18158 201.3
[M+Na]+ 421.16352 214.1
[M+NH4]+ 416.20812 207.1
[M+K]+ 437.13746 206.9
[M-H]- 397.16702 207.4
[M+Na-2H]- 419.14897 209.5
[M]+ 398.17375 204.9
[M]- 398.17485 204.9
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