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]+ 233.128466 156.2
[M+Na]+ 255.110408 164.5
[M-H]- 231.113914 157.6
[M+NH4]+ 250.155013 171.4
[M+K]+ 271.084348 160.7
[M+H-H2O]+ 215.118450 143.5
[M+HCOO]- 277.119391 174.4
[M+CH3COO]- 291.135041 203.2
[M+Na-2H]- 253.095856 157.9
[M]+ 232.12064142 150.9
[M]- 232.12173858 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.