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

literature stripe

Patent stripe

patents stripe