CID 3042327

N-allyl-2-(allyloxy)-5-amino-m-toluamide hydrochloride

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC1=CC(=CC(=C1OCC=C)C(=O)NCC=C)N
InChI
InChI=1S/C14H18N2O2/c1-4-6-16-14(17)12-9-11(15)8-10(3)13(12)18-7-5-2/h4-5,8-9H,1-2,6-7,15H2,3H3,(H,16,17)
InChIKey
LVHOONKLXWLMPX-UHFFFAOYSA-N
Compound name
5-amino-3-methyl-2-prop-2-enoxy-N-prop-2-enylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 158.8
[M+Na]+ 269.12605 168.9
[M+NH4]+ 264.17065 164.9
[M+K]+ 285.09999 162.8
[M-H]- 245.12955 160.5
[M+Na-2H]- 267.11150 162.8
[M]+ 246.13628 160.3
[M]- 246.13738 160.3
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.