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]+ 261.159746 165.5
[M+Na]+ 283.141688 172.7
[M-H]- 259.145194 166.6
[M+NH4]+ 278.186293 179.5
[M+K]+ 299.115628 169.0
[M+H-H2O]+ 243.149730 152.5
[M+HCOO]- 305.150671 182.2
[M+CH3COO]- 319.166321 209.4
[M+Na-2H]- 281.127136 165.0
[M]+ 260.15192142 160.2
[M]- 260.15301858 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.