CID 9573490

Pyracn2 4clph d

Structural Information

Molecular Formula
C14H13ClN3O
SMILES
C1=CC=[N+](C=C1)CC(=O)N/N=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H12ClN3O/c15-13-6-4-12(5-7-13)10-16-17-14(19)11-18-8-2-1-3-9-18/h1-10H,11H2/p+1/b16-10+
InChIKey
SXSUIQCGIVMCQJ-MHWRWJLKSA-O
Compound name
N-[(E)-(4-chlorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

274.0747 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08198 162.0
[M+Na]+ 297.06392 168.9
[M-H]- 273.06742 168.4
[M+NH4]+ 292.10852 177.0
[M+K]+ 313.03786 158.3
[M+H-H2O]+ 257.07196 156.2
[M+HCOO]- 319.07290 183.2
[M+CH3COO]- 333.08855 194.7
[M+Na-2H]- 295.04937 171.0
[M]+ 274.07415 162.6
[M]- 274.07525 162.6
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.