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

7
Patents

223.11095 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11823 148.8
[M+Na]+ 246.10017 158.9
[M-H]- 222.10367 152.7
[M+NH4]+ 241.14477 165.7
[M+K]+ 262.07411 153.5
[M+H-H2O]+ 206.10821 139.2
[M+HCOO]- 268.10915 171.2
[M+CH3COO]- 282.12480 161.6
[M+Na-2H]- 244.08562 157.3
[M]+ 223.11040 150.7
[M]- 223.11150 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