CID 76057

Imidazo(4,5-c)pyridine, 1-phenethyl-

Structural Information

Molecular Formula
C14H13N3
SMILES
C1=CC=C(C=C1)CCN2C=NC3=C2C=CN=C3
InChI
InChI=1S/C14H13N3/c1-2-4-12(5-3-1)7-9-17-11-16-13-10-15-8-6-14(13)17/h1-6,8,10-11H,7,9H2
InChIKey
VHZYOSMVUSWWLN-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

223.11095 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.118226 148.8
[M+Na]+ 246.100168 158.9
[M-H]- 222.103674 152.7
[M+NH4]+ 241.144773 165.7
[M+K]+ 262.074108 153.5
[M+H-H2O]+ 206.108210 139.2
[M+HCOO]- 268.109151 171.2
[M+CH3COO]- 282.124801 161.6
[M+Na-2H]- 244.085616 157.3
[M]+ 223.11040142 150.7
[M]- 223.11149858 150.7
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