CID 132677

Zomebazam

Structural Information

Molecular Formula
C15H16N4O2
SMILES
CC1=NN(C2=C1N(C(=O)CC(=O)N2C)C3=CC=CC=C3)C
InChI
InChI=1S/C15H16N4O2/c1-10-14-15(18(3)16-10)17(2)12(20)9-13(21)19(14)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChIKey
BFWACMHTIVUWJS-UHFFFAOYSA-N
Compound name
1,3,8-trimethyl-4-phenylpyrazolo[4,5-b][1,4]diazepine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

88
Patents

284.12732 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.134596 166.2
[M+Na]+ 307.116538 176.6
[M-H]- 283.120044 171.0
[M+NH4]+ 302.161143 179.3
[M+K]+ 323.090478 175.6
[M+H-H2O]+ 267.124580 156.0
[M+HCOO]- 329.125521 182.9
[M+CH3COO]- 343.141171 177.2
[M+Na-2H]- 305.101986 167.1
[M]+ 284.12677142 165.1
[M]- 284.12786858 165.1
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