CID 3066877

1-propyl-2-(2-chloroethylamino)benzimidazole hydrochloride

Structural Information

Molecular Formula
C12H16ClN3
SMILES
CCCN1C2=CC=CC=C2N=C1NCCCl
InChI
InChI=1S/C12H16ClN3/c1-2-9-16-11-6-4-3-5-10(11)15-12(16)14-8-7-13/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKey
KKTQMWJIPVTYIM-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-1-propylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10327 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11055 152.6
[M+Na]+ 260.09249 162.8
[M-H]- 236.09599 154.5
[M+NH4]+ 255.13709 171.6
[M+K]+ 276.06643 157.2
[M+H-H2O]+ 220.10053 145.1
[M+HCOO]- 282.10147 171.9
[M+CH3COO]- 296.11712 193.7
[M+Na-2H]- 258.07794 159.1
[M]+ 237.10272 157.4
[M]- 237.10382 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.