CID 4961794

3,4-dimethyl-n-{[2-(prop-2-en-1-yloxy)phenyl]methyl}aniline

Structural Information

Molecular Formula
C18H21NO
SMILES
CC1=C(C=C(C=C1)NCC2=CC=CC=C2OCC=C)C
InChI
InChI=1S/C18H21NO/c1-4-11-20-18-8-6-5-7-16(18)13-19-17-10-9-14(2)15(3)12-17/h4-10,12,19H,1,11,13H2,2-3H3
InChIKey
YLOCTCWBOBPITL-UHFFFAOYSA-N
Compound name
3,4-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 163.8
[M+Na]+ 290.15154 170.9
[M-H]- 266.15504 170.4
[M+NH4]+ 285.19614 180.3
[M+K]+ 306.12548 165.9
[M+H-H2O]+ 250.15958 155.8
[M+HCOO]- 312.16052 188.2
[M+CH3COO]- 326.17617 203.6
[M+Na-2H]- 288.13699 167.9
[M]+ 267.16177 165.4
[M]- 267.16287 165.4
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.