CID 35371

30533-80-3

Structural Information

Molecular Formula
C14H17ClN2O2
SMILES
CCCCNC(=O)C1=CC(=C(C=C1OCC#C)Cl)N
InChI
InChI=1S/C14H17ClN2O2/c1-3-5-6-17-14(18)10-8-12(16)11(15)9-13(10)19-7-4-2/h2,8-9H,3,5-7,16H2,1H3,(H,17,18)
InChIKey
PEHDKEOBNLOTTE-UHFFFAOYSA-N
Compound name
5-amino-N-butyl-4-chloro-2-prop-2-ynoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.09787 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10515 161.6
[M+Na]+ 303.08709 172.2
[M+NH4]+ 298.13169 164.9
[M+K]+ 319.06103 162.9
[M-H]- 279.09059 155.5
[M+Na-2H]- 301.07254 163.1
[M]+ 280.09732 160.6
[M]- 280.09842 160.6
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.