CID 3041150

2h-1,4-benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-(dimethylamino)ethyl)-, n-oxide, hydrate

Structural Information

Molecular Formula
C19H19Cl2N3O2
SMILES
C[N+](C)(CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3Cl)[O-]
InChI
InChI=1S/C19H19Cl2N3O2/c1-24(2,26)10-9-23-17-8-7-13(20)11-15(17)19(22-12-18(23)25)14-5-3-4-6-16(14)21/h3-8,11H,9-10,12H2,1-2H3
InChIKey
PWKAEOMXEBQCAE-UHFFFAOYSA-N
Compound name
2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N,N-dimethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.08542 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.09270 192.8
[M+Na]+ 414.07464 208.1
[M+NH4]+ 409.11924 200.2
[M+K]+ 430.04858 201.7
[M-H]- 390.07814 197.4
[M+Na-2H]- 412.06009 199.5
[M]+ 391.08487 197.1
[M]- 391.08597 197.1
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

No patent data available for this compound.