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

2
Patents

355.14514 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.15242 182.6
[M+Na]+ 378.13436 190.4
[M-H]- 354.13786 189.5
[M+NH4]+ 373.17896 194.7
[M+K]+ 394.10830 189.8
[M+H-H2O]+ 338.14240 173.0
[M+HCOO]- 400.14334 196.9
[M+CH3COO]- 414.15899 192.5
[M+Na-2H]- 376.11981 184.9
[M]+ 355.14459 183.4
[M]- 355.14569 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