CID 242006

4813-07-4

Structural Information

Molecular Formula
C13H10N4O3
SMILES
C1=CC(=CC=C1C=NNC(=O)C2=CC=NC=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H10N4O3/c18-13(11-5-7-14-8-6-11)16-15-9-10-1-3-12(4-2-10)17(19)20/h1-9H,(H,16,18)
InChIKey
HLPMEKJZGSAPBE-UHFFFAOYSA-N
Compound name
N-[(4-nitrophenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

270.0753 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08258 156.4
[M+Na]+ 293.06452 161.5
[M-H]- 269.06802 163.0
[M+NH4]+ 288.10912 169.8
[M+K]+ 309.03846 154.6
[M+H-H2O]+ 253.07256 151.4
[M+HCOO]- 315.07350 183.9
[M+CH3COO]- 329.08915 196.1
[M+Na-2H]- 291.04997 165.9
[M]+ 270.07475 154.2
[M]- 270.07585 154.2
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