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]+ 256.155666 157.3
[M+Na]+ 278.137608 167.2
[M-H]- 254.141114 160.2
[M+NH4]+ 273.182213 173.1
[M+K]+ 294.111548 162.0
[M+H-H2O]+ 238.145650 147.4
[M+HCOO]- 300.146591 179.7
[M+CH3COO]- 314.162241 169.2
[M+Na-2H]- 276.123056 161.8
[M]+ 255.14784142 159.5
[M]- 255.14893858 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.