CID 207699

30533-77-8

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCCNC(=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/h2,5-6,9H,3,7-8,14H2,1H3,(H,15,16)
InChIKey
AAUTTWDSALBGBR-UHFFFAOYSA-N
Compound name
5-amino-N-propyl-2-prop-2-ynoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 156.2
[M+Na]+ 255.11041 164.5
[M-H]- 231.11391 157.6
[M+NH4]+ 250.15501 171.4
[M+K]+ 271.08435 160.7
[M+H-H2O]+ 215.11845 143.5
[M+HCOO]- 277.11939 174.4
[M+CH3COO]- 291.13504 203.2
[M+Na-2H]- 253.09586 157.9
[M]+ 232.12064 150.9
[M]- 232.12174 150.9
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.