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 177.3
[M+Na]+ 367.08199 186.9
[M-H]- 343.08549 182.3
[M+NH4]+ 362.12659 189.1
[M+K]+ 383.05593 185.6
[M+H-H2O]+ 327.09003 168.6
[M+HCOO]- 389.09097 190.6
[M+CH3COO]- 403.10662 187.5
[M+Na-2H]- 365.06744 180.7
[M]+ 344.09222 178.7
[M]- 344.09332 178.7
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