CID 6117031

329778-54-3

Structural Information

Molecular Formula
C19H19F2NO
SMILES
CC(C)CC1=CC=C(C=C1)/C=C/C(=O)NC2=CC(=C(C=C2)F)F
InChI
InChI=1S/C19H19F2NO/c1-13(2)11-15-5-3-14(4-6-15)7-10-19(23)22-16-8-9-17(20)18(21)12-16/h3-10,12-13H,11H2,1-2H3,(H,22,23)/b10-7+
InChIKey
SNYXOECLSPZIND-JXMROGBWSA-N
Compound name
(E)-N-(3,4-difluorophenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.14346 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15074 174.3
[M+Na]+ 338.13268 180.9
[M-H]- 314.13618 178.1
[M+NH4]+ 333.17728 188.6
[M+K]+ 354.10662 175.2
[M+H-H2O]+ 298.14072 164.4
[M+HCOO]- 360.14166 194.4
[M+CH3COO]- 374.15731 211.5
[M+Na-2H]- 336.11813 174.1
[M]+ 315.14291 172.0
[M]- 315.14401 172.0
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

No patent data available for this compound.