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 157.7
[M+Na]+ 269.12605 164.6
[M-H]- 245.12955 161.0
[M+NH4]+ 264.17065 174.7
[M+K]+ 285.09999 160.9
[M+H-H2O]+ 229.13409 150.9
[M+HCOO]- 291.13503 182.0
[M+CH3COO]- 305.15068 201.0
[M+Na-2H]- 267.11150 159.4
[M]+ 246.13628 158.1
[M]- 246.13738 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.