CID 388579

Nsc683591

Structural Information

Molecular Formula

C₁₀H₁₃N₅

SMILES

CC1=NC2=C(N1)C=C(C=C2)N=NN(C)C

InChI

InChI=1S/C10H13N5/c1-7-11-9-5-4-8(6-10(9)12-7)13-14-15(2)3/h4-6H,1-3H3,(H,11,12)

InChIKey

VADKDILSAFKYEB-UHFFFAOYSA-N

Compound name

N-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)diazenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 203.1171 Da
Monoisotopic Mass: 2.8
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]+	204.124376	142.2
[M+Na]+	226.106318	151.8
[M-H]-	202.109824	147.8
[M+NH4]+	221.150923	162.4
[M+K]+	242.080258	150.1
[M+H-H2O]+	186.114360	133.7
[M+HCOO]-	248.115301	171.3
[M+CH3COO]-	262.130951	198.3
[M+Na-2H]-	224.091766	151.3
[M]+	203.11655142	145.5
[M]-	203.11764858	145.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.