CID 207704

Brn 2943260

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CC(C)CCNC(=O)C1=C(C=CC(=C1)N)OCC#C
InChI
InChI=1S/C15H20N2O2/c1-4-9-19-14-6-5-12(16)10-13(14)15(18)17-8-7-11(2)3/h1,5-6,10-11H,7-9,16H2,2-3H3,(H,17,18)
InChIKey
DBTWYVYZXAQYSL-UHFFFAOYSA-N
Compound name
5-amino-N-(3-methylbutyl)-2-prop-2-ynoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15247 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 165.5
[M+Na]+ 283.14169 172.7
[M-H]- 259.14519 166.6
[M+NH4]+ 278.18629 179.5
[M+K]+ 299.11563 169.0
[M+H-H2O]+ 243.14973 152.5
[M+HCOO]- 305.15067 182.2
[M+CH3COO]- 319.16632 209.4
[M+Na-2H]- 281.12714 165.0
[M]+ 260.15192 160.2
[M]- 260.15302 160.2
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.