CID 9569603

Nonanal 2,4-dinitrophenylhydrazone

Structural Information

Molecular Formula
C15H22N4O4
SMILES
CCCCCCCC/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C15H22N4O4/c1-2-3-4-5-6-7-8-11-16-17-14-10-9-13(18(20)21)12-15(14)19(22)23/h9-12,17H,2-8H2,1H3/b16-11+
InChIKey
STBNOHBRCCXRIK-LFIBNONCSA-N
Compound name
2,4-dinitro-N-[(E)-nonylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1641 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17138 177.4
[M+Na]+ 345.15332 180.0
[M-H]- 321.15682 181.1
[M+NH4]+ 340.19792 217.3
[M+K]+ 361.12726 169.3
[M+H-H2O]+ 305.16136 177.7
[M+HCOO]- 367.16230 232.8
[M+CH3COO]- 381.17795 205.7
[M+Na-2H]- 343.13877 183.9
[M]+ 322.16355 176.7
[M]- 322.16465 176.7
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.