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]+ 254.15395 159.9
[M+Na]+ 276.13589 165.3
[M-H]- 252.13939 166.1
[M+NH4]+ 271.18049 176.3
[M+K]+ 292.10983 161.0
[M+H-H2O]+ 236.14393 151.9
[M+HCOO]- 298.14487 183.8
[M+CH3COO]- 312.16052 199.1
[M+Na-2H]- 274.12134 164.8
[M]+ 253.14612 159.8
[M]- 253.14722 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.