CID 5377793

Dtxsid6049303

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H16N2O2/c1-17(2)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(19)20/h3-12H,1-2H3/b4-3+
InChIKey
NVLSIZITFJRWPY-ONEGZZNKSA-N
Compound name
N,N-dimethyl-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1216
Patents

268.1212 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 162.0
[M+Na]+ 291.11042 167.6
[M-H]- 267.11392 169.9
[M+NH4]+ 286.15502 177.7
[M+K]+ 307.08436 160.4
[M+H-H2O]+ 251.11846 158.3
[M+HCOO]- 313.11940 188.4
[M+CH3COO]- 327.13505 198.4
[M+Na-2H]- 289.09587 167.9
[M]+ 268.12065 161.1
[M]- 268.12175 161.1
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