CID 165948182

2-{1-[2-(1h-imidazol-1-yl)ethyl]-1h-1,3-benzodiazol-2-yl}ethan-1-amine

Structural Information

Molecular Formula
C14H17N5
SMILES
C1=CC=C2C(=C1)N=C(N2CCN3C=CN=C3)CCN
InChI
InChI=1S/C14H17N5/c15-6-5-14-17-12-3-1-2-4-13(12)19(14)10-9-18-8-7-16-11-18/h1-4,7-8,11H,5-6,9-10,15H2
InChIKey
JCRXJVOUAMDBBY-UHFFFAOYSA-N
Compound name
2-[1-(2-imidazol-1-ylethyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14839 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15567 157.3
[M+Na]+ 278.13761 167.2
[M-H]- 254.14111 160.2
[M+NH4]+ 273.18221 173.1
[M+K]+ 294.11155 162.0
[M+H-H2O]+ 238.14565 147.4
[M+HCOO]- 300.14659 179.7
[M+CH3COO]- 314.16224 169.2
[M+Na-2H]- 276.12306 161.8
[M]+ 255.14784 159.5
[M]- 255.14894 159.5
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.