CID 9817505

Schembl2158122

Structural Information

Molecular Formula
C14H14ClN3O2
SMILES
C1CC(C2=C(C(=C(N2C1)C3=CN=CC=C3)Cl)C(=O)N)O
InChI
InChI=1S/C14H14ClN3O2/c15-11-10(14(16)20)13-9(19)4-2-6-18(13)12(11)8-3-1-5-17-7-8/h1,3,5,7,9,19H,2,4,6H2,(H2,16,20)
InChIKey
YHMQXWQYGOPVLE-UHFFFAOYSA-N
Compound name
2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

291.07745 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.08473 165.1
[M+Na]+ 314.06667 174.0
[M-H]- 290.07017 168.6
[M+NH4]+ 309.11127 180.5
[M+K]+ 330.04061 167.8
[M+H-H2O]+ 274.07471 157.7
[M+HCOO]- 336.07565 178.4
[M+CH3COO]- 350.09130 175.8
[M+Na-2H]- 312.05212 166.2
[M]+ 291.07690 163.8
[M]- 291.07800 163.8
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.