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]+ 325.15468 177.1
[M+Na]+ 347.13662 181.7
[M-H]- 323.14012 183.6
[M+NH4]+ 342.18122 189.9
[M+K]+ 363.11056 173.5
[M+H-H2O]+ 307.14466 173.7
[M+HCOO]- 369.14560 199.9
[M+CH3COO]- 383.16125 204.7
[M+Na-2H]- 345.12207 182.6
[M]+ 324.14685 175.4
[M]- 324.14795 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.