CID 38728

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

Structural Information

Molecular Formula
C18H17ClN2O3
SMILES
CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OCCO)C3=CC=CC=C3
InChI
InChI=1S/C18H17ClN2O3/c1-21-15-8-7-13(19)11-14(15)16(12-5-3-2-4-6-12)20-17(18(21)23)24-10-9-22/h2-8,11,17,22H,9-10H2,1H3
InChIKey
PYRIRQPKPPLVMI-UHFFFAOYSA-N
Compound name
7-chloro-3-(2-hydroxyethoxy)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.09277 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10005 177.4
[M+Na]+ 367.08199 191.3
[M+NH4]+ 362.12659 184.0
[M+K]+ 383.05593 184.7
[M-H]- 343.08549 180.2
[M+Na-2H]- 365.06744 183.9
[M]+ 344.09222 180.6
[M]- 344.09332 180.6
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.