CID 33474

Ripazepam

Structural Information

Molecular Formula
C15H16N4O
SMILES
CCN1C2=C(C(=N1)C)NC(=O)CN=C2C3=CC=CC=C3
InChI
InChI=1S/C15H16N4O/c1-3-19-15-13(10(2)18-19)17-12(20)9-16-14(15)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,20)
InChIKey
YFHYNLHGFKXAIQ-UHFFFAOYSA-N
Compound name
1-ethyl-3-methyl-8-phenyl-4,6-dihydropyrazolo[4,3-e][1,4]diazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

268
Patents

268.13242 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13970 163.4
[M+Na]+ 291.12164 175.3
[M+NH4]+ 286.16624 169.3
[M+K]+ 307.09558 171.7
[M-H]- 267.12514 164.6
[M+Na-2H]- 289.10709 168.9
[M]+ 268.13187 165.4
[M]- 268.13297 165.4
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

patents stripe