CID 74069

1567-89-1

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

61
Patents

238.0702 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.077476 148.4
[M+Na]+ 261.059418 153.4
[M-H]- 237.062924 153.4
[M+NH4]+ 256.104023 163.7
[M+K]+ 277.033358 144.6
[M+H-H2O]+ 221.067460 150.2
[M+HCOO]- 283.068401 176.7
[M+CH3COO]- 297.084051 188.4
[M+Na-2H]- 259.044866 156.9
[M]+ 238.06965142 145.2
[M]- 238.07074858 145.2
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

patents stripe