CID 165604868

2-(1-butyl-1h-1,3-benzodiazol-2-yl)-2-methylpropan-1-amine dihydrochloride

Structural Information

Molecular Formula
C15H23N3
SMILES
CCCCN1C2=CC=CC=C2N=C1C(C)(C)CN
InChI
InChI=1S/C15H23N3/c1-4-5-10-18-13-9-7-6-8-12(13)17-14(18)15(2,3)11-16/h6-9H,4-5,10-11,16H2,1-3H3
InChIKey
YQXUEHRCZWBPBS-UHFFFAOYSA-N
Compound name
2-(1-butylbenzimidazol-2-yl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1892 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.19648 161.3
[M+Na]+ 268.17842 170.0
[M-H]- 244.18192 163.0
[M+NH4]+ 263.22302 179.1
[M+K]+ 284.15236 165.5
[M+H-H2O]+ 228.18646 153.8
[M+HCOO]- 290.18740 182.1
[M+CH3COO]- 304.20305 198.7
[M+Na-2H]- 266.16387 166.5
[M]+ 245.18865 163.9
[M]- 245.18975 163.9
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.