CID 6299948

331462-25-0

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CC(C)(C)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H20N2O3/c1-19(2,3)15-8-10-16(11-9-15)20-18(22)12-7-14-5-4-6-17(13-14)21(23)24/h4-13H,1-3H3,(H,20,22)/b12-7+
InChIKey
LRLNODDMFNYJHO-KPKJPENVSA-N
Compound name
(E)-N-(4-tert-butylphenyl)-3-(3-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1474 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.154676 177.1
[M+Na]+ 347.136618 181.7
[M-H]- 323.140124 183.6
[M+NH4]+ 342.181223 189.9
[M+K]+ 363.110558 173.5
[M+H-H2O]+ 307.144660 173.7
[M+HCOO]- 369.145601 199.9
[M+CH3COO]- 383.161251 204.7
[M+Na-2H]- 345.122066 182.6
[M]+ 324.14685142 175.4
[M]- 324.14794858 175.4
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

No patent data available for this compound.