CID 28303633

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

Structural Information

Molecular Formula
C13H19N3
SMILES
CCCCN1C2=CC=CC=C2N=C1CCN
InChI
InChI=1S/C13H19N3/c1-2-3-10-16-12-7-5-4-6-11(12)15-13(16)8-9-14/h4-7H,2-3,8-10,14H2,1H3
InChIKey
PVPYVMGUOLHWCG-UHFFFAOYSA-N
Compound name
2-(1-butylbenzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

217.1579 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.165176 150.3
[M+Na]+ 240.147118 159.5
[M-H]- 216.150624 152.0
[M+NH4]+ 235.191723 169.2
[M+K]+ 256.121058 155.1
[M+H-H2O]+ 200.155160 142.5
[M+HCOO]- 262.156101 173.5
[M+CH3COO]- 276.171751 192.3
[M+Na-2H]- 238.132566 156.0
[M]+ 217.15735142 152.8
[M]- 217.15844858 152.8
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