CID 207684

Benzamide, 2-(allyloxy)-5-amino-n-isopropyl-

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC(C)NC(=O)C1=C(C=CC(=C1)N)OCC=C
InChI
InChI=1S/C13H18N2O2/c1-4-7-17-12-6-5-10(14)8-11(12)13(16)15-9(2)3/h4-6,8-9H,1,7,14H2,2-3H3,(H,15,16)
InChIKey
BSNCNFAUEXTIGI-UHFFFAOYSA-N
Compound name
5-amino-N-propan-2-yl-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 155.3
[M+Na]+ 257.126048 161.2
[M-H]- 233.129554 158.5
[M+NH4]+ 252.170653 172.5
[M+K]+ 273.099988 158.8
[M+H-H2O]+ 217.134090 148.5
[M+HCOO]- 279.135031 178.8
[M+CH3COO]- 293.150681 198.4
[M+Na-2H]- 255.111496 156.9
[M]+ 234.13628142 155.0
[M]- 234.13737858 155.0
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.