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 184.8
[M+Na]+ 398.07972 195.1
[M-H]- 374.08322 191.0
[M+NH4]+ 393.12432 197.0
[M+K]+ 414.05366 193.3
[M+H-H2O]+ 358.08776 175.1
[M+HCOO]- 420.08870 195.5
[M+CH3COO]- 434.10435 194.8
[M+Na-2H]- 396.06517 187.1
[M]+ 375.08995 187.3
[M]- 375.09105 187.3
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.