CID 5377242

1527-96-4

Structural Information

Molecular Formula
C10H10N4O4
SMILES
C/C=C/C=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H10N4O4/c1-2-3-6-11-12-9-5-4-8(13(15)16)7-10(9)14(17)18/h2-7,12H,1H3/b3-2+,11-6-
InChIKey
GFUVNGJSSAEZHW-OKAJUWNNSA-N
Compound name
N-[(Z)-[(E)-but-2-enylidene]amino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

250.0702 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.07748 163.4
[M+Na]+ 273.05942 169.3
[M+NH4]+ 268.10402 171.8
[M+K]+ 289.03336 178.7
[M-H]- 249.06292 158.6
[M+Na-2H]- 271.04487 161.2
[M]+ 250.06965 164.9
[M]- 250.07075 164.9
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