CID 5702890

57711-75-8

Structural Information

Molecular Formula
C16H15N3O4
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C16H15N3O4/c1-17(2)14-8-4-12(5-9-14)3-6-13-7-10-15(18(20)21)11-16(13)19(22)23/h3-11H,1-2H3/b6-3+
InChIKey
FUQVXPNRYJFXSG-ZZXKWVIFSA-N
Compound name
4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

313.10626 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11354 174.2
[M+Na]+ 336.09548 188.3
[M+NH4]+ 331.14008 181.2
[M+K]+ 352.06942 186.3
[M-H]- 312.09898 181.3
[M+Na-2H]- 334.08093 181.4
[M]+ 313.10571 178.0
[M]- 313.10681 178.0
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