CID 5279347

Schembl643929

Structural Information

Molecular Formula
C24H22N4O2
SMILES
CN(C)C1=CC=CC=C1C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C24H22N4O2/c1-28(2)20-15-9-7-13-18(20)23(29)27-22-24(30)25-19-14-8-6-12-17(19)21(26-22)16-10-4-3-5-11-16/h3-15,22H,1-2H3,(H,25,30)(H,27,29)
InChIKey
ZIXKTTIVMNOVSV-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

398.1743 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18158 199.0
[M+Na]+ 421.16352 203.9
[M-H]- 397.16702 207.9
[M+NH4]+ 416.20812 206.7
[M+K]+ 437.13746 203.5
[M+H-H2O]+ 381.17156 188.3
[M+HCOO]- 443.17250 217.2
[M+CH3COO]- 457.18815 206.9
[M+Na-2H]- 419.14897 202.1
[M]+ 398.17375 194.8
[M]- 398.17485 194.8
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