CID 16394702

887405-39-2

Structural Information

Molecular Formula
C11H12N4
SMILES
C1CNC(C2=C1NC=N2)C3=CC=CC=N3
InChI
InChI=1S/C11H12N4/c1-2-5-12-8(3-1)10-11-9(4-6-13-10)14-7-15-11/h1-3,5,7,10,13H,4,6H2,(H,14,15)
InChIKey
QAGHLLMJFGLYIP-UHFFFAOYSA-N
Compound name
4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

200.1062 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.113476 144.5
[M+Na]+ 223.095418 152.0
[M-H]- 199.098924 143.7
[M+NH4]+ 218.140023 159.2
[M+K]+ 239.069358 146.1
[M+H-H2O]+ 183.103460 135.0
[M+HCOO]- 245.104401 159.3
[M+CH3COO]- 259.120051 154.8
[M+Na-2H]- 221.080866 150.6
[M]+ 200.10565142 138.1
[M]- 200.10674858 138.1
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