CID 100815

53514-79-7

Structural Information

Molecular Formula
C19H19Cl2N3O
SMILES
CN(C)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3Cl
InChI
InChI=1S/C19H19Cl2N3O/c1-23(2)9-10-24-17-8-7-13(20)11-15(17)19(22-12-18(24)25)14-5-3-4-6-16(14)21/h3-8,11H,9-10,12H2,1-2H3
InChIKey
MLHPUCAUZPCWLF-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.0905 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.09778 184.0
[M+Na]+ 398.07972 198.5
[M+NH4]+ 393.12432 191.5
[M+K]+ 414.05366 190.5
[M-H]- 374.08322 188.4
[M+Na-2H]- 396.06517 191.4
[M]+ 375.08995 188.1
[M]- 375.09105 188.1
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.