CID 3074992

Thiazolo(3,2-a)benzimidazole-3-methanamine, n-butyl-, monohydrochloride

Structural Information

Molecular Formula
C14H17N3S
SMILES
CCCCNCC1=CSC2=NC3=CC=CC=C3N12
InChI
InChI=1S/C14H17N3S/c1-2-3-8-15-9-11-10-18-14-16-12-6-4-5-7-13(12)17(11)14/h4-7,10,15H,2-3,8-9H2,1H3
InChIKey
MOWYPNXORWSOFU-UHFFFAOYSA-N
Compound name
N-([1,3]thiazolo[3,2-a]benzimidazol-1-ylmethyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.11432 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12160 156.5
[M+Na]+ 282.10354 168.6
[M-H]- 258.10704 160.9
[M+NH4]+ 277.14814 177.8
[M+K]+ 298.07748 163.5
[M+H-H2O]+ 242.11158 150.2
[M+HCOO]- 304.11252 177.4
[M+CH3COO]- 318.12817 170.1
[M+Na-2H]- 280.08899 161.0
[M]+ 259.11377 164.3
[M]- 259.11487 164.3
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.