CID 70240244

Schembl7963327

Structural Information

Molecular Formula
C14H14ClN3O2
SMILES
C1CCN2C(=C(C(=C2C3=C[N+](=CC=C3)[O-])Cl)C(=O)N)C1
InChI
InChI=1S/C14H14ClN3O2/c15-12-11(14(16)19)10-5-1-2-7-18(10)13(12)9-4-3-6-17(20)8-9/h3-4,6,8H,1-2,5,7H2,(H2,16,19)
InChIKey
BYPUGCWAOMUKTI-UHFFFAOYSA-N
Compound name
2-chloro-3-(1-oxidopyridin-1-ium-3-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

291.07745 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.08473 166.2
[M+Na]+ 314.06667 173.7
[M-H]- 290.07017 169.1
[M+NH4]+ 309.11127 180.8
[M+K]+ 330.04061 163.2
[M+H-H2O]+ 274.07471 163.1
[M+HCOO]- 336.07565 179.7
[M+CH3COO]- 350.09130 192.0
[M+Na-2H]- 312.05212 169.2
[M]+ 291.07690 162.4
[M]- 291.07800 162.4
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.