CID 9602967

2,5-dimethylbenzaldehyde-dnph

Structural Information

Molecular Formula
C15H14N4O4
SMILES
CC1=CC(=C(C=C1)C)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C15H14N4O4/c1-10-3-4-11(2)12(7-10)9-16-17-14-6-5-13(18(20)21)8-15(14)19(22)23/h3-9,17H,1-2H3/b16-9+
InChIKey
GYDQEABEWIRZLY-CXUHLZMHSA-N
Compound name
N-[(E)-(2,5-dimethylphenyl)methylideneamino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.1015 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10878 170.7
[M+Na]+ 337.09072 175.5
[M-H]- 313.09422 178.6
[M+NH4]+ 332.13532 182.9
[M+K]+ 353.06466 164.4
[M+H-H2O]+ 297.09876 170.5
[M+HCOO]- 359.09970 198.9
[M+CH3COO]- 373.11535 203.7
[M+Na-2H]- 335.07617 178.6
[M]+ 314.10095 168.3
[M]- 314.10205 168.3
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

patents stripe