CID 71766

Mitozolomide

Structural Information

Molecular Formula

C₇H₇ClN₆O₂

SMILES

C1=NC(=C2N1C(=O)N(N=N2)CCCl)C(=O)N

InChI

InChI=1S/C7H7ClN6O2/c8-1-2-14-7(16)13-3-10-4(5(9)15)6(13)11-12-14/h3H,1-2H2,(H2,9,15)

InChIKey

QXYYYPFGTSJXNS-UHFFFAOYSA-N

Compound name

3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 85
References: 6707
Patents: 242.0319 Da
Monoisotopic Mass: -0.5
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]+	243.03918	146.3
[M+Na]+	265.02112	159.3
[M+NH4]+	260.06572	151.3
[M+K]+	280.99506	156.8
[M-H]-	241.02462	144.5
[M+Na-2H]-	263.00657	150.8
[M]+	242.03135	147.5
[M]-	242.03245	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe