CID 478551

N-[1-(4-methoxyphenyl)but-3-enyl]aniline

Structural Information

Molecular Formula
C17H19NO
SMILES
COC1=CC=C(C=C1)C(CC=C)NC2=CC=CC=C2
InChI
InChI=1S/C17H19NO/c1-3-7-17(18-15-8-5-4-6-9-15)14-10-12-16(19-2)13-11-14/h3-6,8-13,17-18H,1,7H2,2H3
InChIKey
YAZMFZZKEBVVCG-UHFFFAOYSA-N
Compound name
N-[1-(4-methoxyphenyl)but-3-enyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.14667 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 159.9
[M+Na]+ 276.135888 165.3
[M-H]- 252.139394 166.1
[M+NH4]+ 271.180493 176.3
[M+K]+ 292.109828 161.0
[M+H-H2O]+ 236.143930 151.9
[M+HCOO]- 298.144871 183.8
[M+CH3COO]- 312.160521 199.1
[M+Na-2H]- 274.121336 164.8
[M]+ 253.14612142 159.8
[M]- 253.14721858 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.