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]+ 247.144106 157.7
[M+Na]+ 269.126048 164.6
[M-H]- 245.129554 161.0
[M+NH4]+ 264.170653 174.7
[M+K]+ 285.099988 160.9
[M+H-H2O]+ 229.134090 150.9
[M+HCOO]- 291.135031 182.0
[M+CH3COO]- 305.150681 201.0
[M+Na-2H]- 267.111496 159.4
[M]+ 246.13628142 158.1
[M]- 246.13737858 158.1
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.