CID 6073511

329778-60-1

Structural Information

Molecular Formula
C20H22FNO
SMILES
CC1=C(C=C(C=C1)F)NC(=O)/C=C/C2=CC=C(C=C2)CC(C)C
InChI
InChI=1S/C20H22FNO/c1-14(2)12-17-7-5-16(6-8-17)9-11-20(23)22-19-13-18(21)10-4-15(19)3/h4-11,13-14H,12H2,1-3H3,(H,22,23)/b11-9+
InChIKey
UDHARMFYUNMSPF-PKNBQFBNSA-N
Compound name
(E)-N-(5-fluoro-2-methylphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.16855 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17583 175.7
[M+Na]+ 334.15777 181.8
[M-H]- 310.16127 180.8
[M+NH4]+ 329.20237 190.2
[M+K]+ 350.13171 176.4
[M+H-H2O]+ 294.16581 166.7
[M+HCOO]- 356.16675 196.6
[M+CH3COO]- 370.18240 211.8
[M+Na-2H]- 332.14322 175.6
[M]+ 311.16800 174.9
[M]- 311.16910 174.9
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.