CID 135398738

Dacarbazine

Structural Information

Molecular Formula

C₆H₁₀N₆O

SMILES

CN(C)/N=N/C1=C(NC=N1)C(=O)N

InChI

InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+

InChIKey

FDKXTQMXEQVLRF-ZHACJKMWSA-N

Compound name

4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 8540
References: 62922
Patents: 182.09161 Da
Monoisotopic Mass: -0.6
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]+	183.09889	136.4
[M+Na]+	205.08083	143.2
[M-H]-	181.08433	140.4
[M+NH4]+	200.12543	155.1
[M+K]+	221.05477	143.8
[M+H-H2O]+	165.08887	127.5
[M+HCOO]-	227.08981	165.1
[M+CH3COO]-	241.10546	194.7
[M+Na-2H]-	203.06628	142.4
[M]+	182.09106	135.7
[M]-	182.09216	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe