CID 256468

4875-51-8

Structural Information

Molecular Formula
C13H13N3O2
SMILES
C1CNC(C2=C1NC=N2)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C13H13N3O2/c1-2-10-11(18-7-17-10)5-8(1)12-13-9(3-4-14-12)15-6-16-13/h1-2,5-6,12,14H,3-4,7H2,(H,15,16)
InChIKey
UIXFLQKJUPTGRF-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10077 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 151.2
[M+Na]+ 266.08999 159.0
[M-H]- 242.09349 154.3
[M+NH4]+ 261.13459 165.8
[M+K]+ 282.06393 155.8
[M+H-H2O]+ 226.09803 143.6
[M+HCOO]- 288.09897 164.3
[M+CH3COO]- 302.11462 162.0
[M+Na-2H]- 264.07544 155.0
[M]+ 243.10022 147.8
[M]- 243.10132 147.8
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.