CID 207677

N-allyl-2-(allyloxy)-5-aminobenzamide

Structural Information

Molecular Formula
C13H16N2O2
SMILES
C=CCNC(=O)C1=C(C=CC(=C1)N)OCC=C
InChI
InChI=1S/C13H16N2O2/c1-3-7-15-13(16)11-9-10(14)5-6-12(11)17-8-4-2/h3-6,9H,1-2,7-8,14H2,(H,15,16)
InChIKey
HHIFWYWJNCLVIN-UHFFFAOYSA-N
Compound name
5-amino-2-prop-2-enoxy-N-prop-2-enylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 153.4
[M+Na]+ 255.11041 159.8
[M-H]- 231.11391 156.4
[M+NH4]+ 250.15501 170.6
[M+K]+ 271.08435 156.2
[M+H-H2O]+ 215.11845 146.5
[M+HCOO]- 277.11939 178.0
[M+CH3COO]- 291.13504 196.7
[M+Na-2H]- 253.09586 156.3
[M]+ 232.12064 153.0
[M]- 232.12174 153.0
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.