CID 6030176

N-(4-fluorobenzyl)-3-(4-methoxy-1-naphthyl)acrylamide

Structural Information

Molecular Formula
C21H18FNO2
SMILES
COC1=CC=C(C2=CC=CC=C21)/C=C/C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C21H18FNO2/c1-25-20-12-8-16(18-4-2-3-5-19(18)20)9-13-21(24)23-14-15-6-10-17(22)11-7-15/h2-13H,14H2,1H3,(H,23,24)/b13-9+
InChIKey
MZBSGXKLWQUYMR-UKTHLTGXSA-N
Compound name
(E)-N-[(4-fluorophenyl)methyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.13217 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13945 179.1
[M+Na]+ 358.12139 186.2
[M-H]- 334.12489 185.1
[M+NH4]+ 353.16599 193.3
[M+K]+ 374.09533 180.1
[M+H-H2O]+ 318.12943 169.3
[M+HCOO]- 380.13037 200.5
[M+CH3COO]- 394.14602 213.7
[M+Na-2H]- 356.10684 182.9
[M]+ 335.13162 179.3
[M]- 335.13272 179.3
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.