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
1
Annotation Hits

0
References

85
Patents

284.12732 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13460 166.2
[M+Na]+ 307.11654 176.6
[M-H]- 283.12004 171.0
[M+NH4]+ 302.16114 179.3
[M+K]+ 323.09048 175.6
[M+H-H2O]+ 267.12458 156.0
[M+HCOO]- 329.12552 182.9
[M+CH3COO]- 343.14117 177.2
[M+Na-2H]- 305.10199 167.1
[M]+ 284.12677 165.1
[M]- 284.12787 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

No patent data available for this compound.