CID 38729

7-chloro-1,3-dihydro-3-(2-hydroxyethoxy)-5-phenyl-2h-1,4-benzodiazepin-2-one

Structural Information

Molecular Formula
C17H15ClN2O3
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OCCO
InChI
InChI=1S/C17H15ClN2O3/c18-12-6-7-14-13(10-12)15(11-4-2-1-3-5-11)20-17(16(22)19-14)23-9-8-21/h1-7,10,17,21H,8-9H2,(H,19,22)
InChIKey
DJELTHIJGDTVJH-UHFFFAOYSA-N
Compound name
7-chloro-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

330.07712 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08440 173.0
[M+Na]+ 353.06634 181.8
[M-H]- 329.06984 176.6
[M+NH4]+ 348.11094 184.4
[M+K]+ 369.04028 179.9
[M+H-H2O]+ 313.07438 164.7
[M+HCOO]- 375.07532 185.3
[M+CH3COO]- 389.09097 182.7
[M+Na-2H]- 351.05179 177.3
[M]+ 330.07657 172.0
[M]- 330.07767 172.0
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

patents stripe