CID 5386015

Isonicotinaldehyde {2,4-dinitrophenyl}hydrazone

Structural Information

Molecular Formula
C12H9N5O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N/N=C\C2=CC=NC=C2
InChI
InChI=1S/C12H9N5O4/c18-16(19)10-1-2-11(12(7-10)17(20)21)15-14-8-9-3-5-13-6-4-9/h1-8,15H/b14-8-
InChIKey
ZWVUDEXLGCVZEJ-ZSOIEALJSA-N
Compound name
2,4-dinitro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.06546 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07274 158.9
[M+Na]+ 310.05468 163.1
[M-H]- 286.05818 165.4
[M+NH4]+ 305.09928 170.3
[M+K]+ 326.02862 152.3
[M+H-H2O]+ 270.06272 158.0
[M+HCOO]- 332.06366 187.0
[M+CH3COO]- 346.07931 195.3
[M+Na-2H]- 308.04013 170.4
[M]+ 287.06491 155.0
[M]- 287.06601 155.0
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.