CID 44154314

Bis(1h-benzimidazole-1-pentylammonium) sulphate

Structural Information

Molecular Formula
C12H17N3
SMILES
CCCCCNN1C=NC2=CC=CC=C21
InChI
InChI=1S/C12H17N3/c1-2-3-6-9-14-15-10-13-11-7-4-5-8-12(11)15/h4-5,7-8,10,14H,2-3,6,9H2,1H3
InChIKey
RPJHMTZUFCRKCQ-UHFFFAOYSA-N
Compound name
N-pentylbenzimidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

203.14224 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.149516 144.9
[M+Na]+ 226.131458 153.5
[M-H]- 202.134964 146.8
[M+NH4]+ 221.176063 164.2
[M+K]+ 242.105398 149.7
[M+H-H2O]+ 186.139500 136.9
[M+HCOO]- 248.140441 169.0
[M+CH3COO]- 262.156091 188.8
[M+Na-2H]- 224.116906 152.9
[M]+ 203.14169142 147.6
[M]- 203.14278858 147.6
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

patents stripe