CID 907836

2375248-38-5

Structural Information

Molecular Formula
C11H11N3O2S
SMILES
C1[C@H](N[C@H](C2=C1NC=N2)C3=CC=CS3)C(=O)O
InChI
InChI=1S/C11H11N3O2S/c15-11(16)7-4-6-9(13-5-12-6)10(14-7)8-2-1-3-17-8/h1-3,5,7,10,14H,4H2,(H,12,13)(H,15,16)/t7-,10-/m0/s1
InChIKey
AOYPUEQTXLZQGC-XVKPBYJWSA-N
Compound name
(4R,6S)-4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0572 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06448 152.9
[M+Na]+ 272.04642 162.3
[M-H]- 248.04992 154.0
[M+NH4]+ 267.09102 169.5
[M+K]+ 288.02036 157.0
[M+H-H2O]+ 232.05446 146.9
[M+HCOO]- 294.05540 164.9
[M+CH3COO]- 308.07105 163.9
[M+Na-2H]- 270.03187 152.5
[M]+ 249.05665 151.4
[M]- 249.05775 151.4
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.