CID 921709

487017-58-3

Structural Information

Molecular Formula

C₁₂H₁₇N₃

SMILES

CCCN1C2=CC=CC=C2N(C1=N)CC

InChI

InChI=1S/C12H17N3/c1-3-9-15-11-8-6-5-7-10(11)14(4-2)12(15)13/h5-8,13H,3-4,9H2,1-2H3

InChIKey

SHDOJICOOSZOSL-UHFFFAOYSA-N

Compound name

1-ethyl-3-propylbenzimidazol-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 203.14224 Da
Monoisotopic Mass: 2.3
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]+	204.14952	144.9
[M+Na]+	226.13146	155.8
[M-H]-	202.13496	147.7
[M+NH4]+	221.17606	164.9
[M+K]+	242.10540	151.3
[M+H-H2O]+	186.13950	137.6
[M+HCOO]-	248.14044	169.2
[M+CH3COO]-	262.15609	190.3
[M+Na-2H]-	224.11691	151.3
[M]+	203.14169	147.7
[M]-	203.14279	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe