CID 220168

Dtxsid80993325

Structural Information

Molecular Formula
C9H10N4O4
SMILES
CCC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C9H10N4O4/c1-2-5-10-11-8-4-3-7(12(14)15)6-9(8)13(16)17/h3-6,11H,2H2,1H3
InChIKey
NFQHZOZOFGDSIN-UHFFFAOYSA-N
Compound name
2,4-dinitro-N-(propylideneamino)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

238.0702 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07748 148.8
[M+Na]+ 261.05942 154.0
[M-H]- 237.06292 153.7
[M+NH4]+ 256.10402 164.2
[M+K]+ 277.03336 144.6
[M+H-H2O]+ 221.06746 150.4
[M+HCOO]- 283.06840 178.0
[M+CH3COO]- 297.08405 187.8
[M+Na-2H]- 259.04487 158.4
[M]+ 238.06965 146.1
[M]- 238.07075 146.1
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.