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[4,5-e][1,4]diazepin-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

278
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 163.3
[M+Na]+ 291.12164 172.5
[M-H]- 267.12514 166.5
[M+NH4]+ 286.16624 176.1
[M+K]+ 307.09558 170.4
[M+H-H2O]+ 251.12968 153.0
[M+HCOO]- 313.13062 179.7
[M+CH3COO]- 327.14627 173.7
[M+Na-2H]- 289.10709 166.1
[M]+ 268.13187 160.4
[M]- 268.13297 160.4
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

No patent data available for this compound.