CID 289676

2-pyridinecarboxaldehyde, 2-(4-nitrophenyl)hydrazone

Structural Information

Molecular Formula
C12H10N4O2
SMILES
C1=CC=NC(=C1)C=NNC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N4O2/c17-16(18)12-6-4-10(5-7-12)15-14-9-11-3-1-2-8-13-11/h1-9,15H
InChIKey
JXFHYUCJPGWCFI-UHFFFAOYSA-N
Compound name
4-nitro-N-(pyridin-2-ylmethylideneamino)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

242.08037 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.087646 149.2
[M+Na]+ 265.069588 154.9
[M-H]- 241.073094 155.8
[M+NH4]+ 260.114193 163.9
[M+K]+ 281.043528 147.7
[M+H-H2O]+ 225.077630 144.5
[M+HCOO]- 287.078571 177.6
[M+CH3COO]- 301.094221 191.9
[M+Na-2H]- 263.055036 160.2
[M]+ 242.07982142 146.8
[M]- 242.08091858 146.8
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