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

41
Patents

313.10626 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.113536 173.1
[M+Na]+ 336.095478 177.4
[M-H]- 312.098984 180.7
[M+NH4]+ 331.140083 185.5
[M+K]+ 352.069418 166.6
[M+H-H2O]+ 296.103520 173.2
[M+HCOO]- 358.104461 199.3
[M+CH3COO]- 372.120111 201.5
[M+Na-2H]- 334.080926 179.3
[M]+ 313.10571142 170.9
[M]- 313.10680858 170.9
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