CID 221488

1655-42-1

Structural Information

Molecular Formula
C12H16N4O4
SMILES
CC(C)CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C
InChI
InChI=1S/C12H16N4O4/c1-8(2)6-9(3)13-14-11-5-4-10(15(17)18)7-12(11)16(19)20/h4-5,7-8,14H,6H2,1-3H3
InChIKey
UNLVZDNGQXFBAY-UHFFFAOYSA-N
Compound name
N-(4-methylpentan-2-ylideneamino)-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.11716 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12444 174.2
[M+Na]+ 303.10638 179.7
[M+NH4]+ 298.15098 182.3
[M+K]+ 319.08032 188.2
[M-H]- 279.10988 169.2
[M+Na-2H]- 301.09183 170.8
[M]+ 280.11661 175.4
[M]- 280.11771 175.4
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

No patent data available for this compound.