CID 71228

Razobazam

Structural Information

Molecular Formula

C₁₄H₁₄N₄O₂

SMILES

CC1=C2C(=NN1)N(C(=O)CC(=O)N2C3=CC=CC=C3)C

InChI

InChI=1S/C14H14N4O2/c1-9-13-14(16-15-9)17(2)11(19)8-12(20)18(13)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,15,16)

InChIKey

RHZDHINXKVZTEF-UHFFFAOYSA-N

Compound name

3,8-dimethyl-4-phenyl-2H-pyrazolo[3,4-b][1,4]diazepine-5,7-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 100
Patents: 270.11166 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	271.11894	162.9
[M+Na]+	293.10088	172.4
[M-H]-	269.10438	166.2
[M+NH4]+	288.14548	175.6
[M+K]+	309.07482	170.8
[M+H-H2O]+	253.10892	152.7
[M+HCOO]-	315.10986	178.4
[M+CH3COO]-	329.12551	173.3
[M+Na-2H]-	291.08633	164.5
[M]+	270.11111	159.3
[M]-	270.11221	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe