CID 205841

3-hydroxyprazepam

Structural Information

Molecular Formula
C19H17ClN2O2
SMILES
C1CC1CN2C3=C(C=C(C=C3)Cl)C(=NC(C2=O)O)C4=CC=CC=C4
InChI
InChI=1S/C19H17ClN2O2/c20-14-8-9-16-15(10-14)17(13-4-2-1-3-5-13)21-18(23)19(24)22(16)11-12-6-7-12/h1-5,8-10,12,18,23H,6-7,11H2
InChIKey
SYUMLTUHTWFDGE-UHFFFAOYSA-N
Compound name
7-chloro-1-(cyclopropylmethyl)-3-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

340.09787 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.105146 176.2
[M+Na]+ 363.087088 186.5
[M-H]- 339.090594 183.8
[M+NH4]+ 358.131693 183.5
[M+K]+ 379.061028 183.6
[M+H-H2O]+ 323.095130 167.5
[M+HCOO]- 385.096071 189.6
[M+CH3COO]- 399.111721 185.9
[M+Na-2H]- 361.072536 179.0
[M]+ 340.09732142 177.2
[M]- 340.09841858 177.2
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

patents stripe