CID 207703

30533-82-5

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CCCCCNC(=O)C1=C(C=CC(=C1)N)OCC#C
InChI
InChI=1S/C15H20N2O2/c1-3-5-6-9-17-15(18)13-11-12(16)7-8-14(13)19-10-4-2/h2,7-8,11H,3,5-6,9-10,16H2,1H3,(H,17,18)
InChIKey
UQFPCYPXSIRWKC-UHFFFAOYSA-N
Compound name
5-amino-N-pentyl-2-prop-2-ynoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15247 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 163.9
[M+Na]+ 283.14169 171.4
[M-H]- 259.14519 165.0
[M+NH4]+ 278.18629 178.1
[M+K]+ 299.11563 167.2
[M+H-H2O]+ 243.14973 150.9
[M+HCOO]- 305.15067 181.6
[M+CH3COO]- 319.16632 208.6
[M+Na-2H]- 281.12714 164.8
[M]+ 260.15192 159.3
[M]- 260.15302 159.3
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.