CID 5279348

Schembl642143

Structural Information

Molecular Formula
C24H22N4O2
SMILES
CC1=CC(=CC(=C1)NC(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C
InChI
InChI=1S/C24H22N4O2/c1-15-12-16(2)14-18(13-15)25-24(30)28-22-23(29)26-20-11-7-6-10-19(20)21(27-22)17-8-4-3-5-9-17/h3-14,22H,1-2H3,(H,26,29)(H2,25,28,30)
InChIKey
DKQSOSRDZZRKNP-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylphenyl)-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

398.1743 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18158 201.2
[M+Na]+ 421.16352 206.9
[M-H]- 397.16702 209.2
[M+NH4]+ 416.20812 208.7
[M+K]+ 437.13746 205.3
[M+H-H2O]+ 381.17156 190.7
[M+HCOO]- 443.17250 218.8
[M+CH3COO]- 457.18815 208.8
[M+Na-2H]- 419.14897 204.0
[M]+ 398.17375 196.2
[M]- 398.17485 196.2
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