CID 14719

1242-71-3

Structural Information

Molecular Formula
C20H22ClN3O
SMILES
CC(CN(C)C)N1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C20H22ClN3O/c1-14(13-23(2)3)24-18-10-9-16(21)11-17(18)20(22-12-19(24)25)15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3
InChIKey
FUHISLTZXOSDOX-UHFFFAOYSA-N
Compound name
7-chloro-1-[1-(dimethylamino)propan-2-yl]-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

355.14514 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.152416 182.6
[M+Na]+ 378.134358 190.4
[M-H]- 354.137864 189.5
[M+NH4]+ 373.178963 194.7
[M+K]+ 394.108298 189.8
[M+H-H2O]+ 338.142400 173.0
[M+HCOO]- 400.143341 196.9
[M+CH3COO]- 414.158991 192.5
[M+Na-2H]- 376.119806 184.9
[M]+ 355.14459142 183.4
[M]- 355.14568858 183.4
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