CID 41699

Brn 0713348

Structural Information

Molecular Formula
C18H16Cl2N2O4
SMILES
C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OCC(CO)O)Cl
InChI
InChI=1S/C18H16Cl2N2O4/c19-10-5-6-15-13(7-10)16(12-3-1-2-4-14(12)20)22-18(17(25)21-15)26-9-11(24)8-23/h1-7,11,18,23-24H,8-9H2,(H,21,25)
InChIKey
RUZTZHORWNXEDM-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-chlorophenyl)-3-(2,3-dihydroxypropoxy)-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.0487 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.05598 182.9
[M+Na]+ 417.03792 195.4
[M+NH4]+ 412.08252 188.2
[M+K]+ 433.01186 190.0
[M-H]- 393.04142 184.0
[M+Na-2H]- 415.02337 187.7
[M]+ 394.04815 185.4
[M]- 394.04925 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.