CID 207698

Brn 2942115

Structural Information

Molecular Formula
C12H13ClN2O2
SMILES
CCNC(=O)C1=CC(=C(C=C1OCC#C)Cl)N
InChI
InChI=1S/C12H13ClN2O2/c1-3-5-17-11-7-9(13)10(14)6-8(11)12(16)15-4-2/h1,6-7H,4-5,14H2,2H3,(H,15,16)
InChIKey
VBENVVTYDGAFPS-UHFFFAOYSA-N
Compound name
5-amino-4-chloro-N-ethyl-2-prop-2-ynoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06656 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07384 153.4
[M+Na]+ 275.05578 164.5
[M+NH4]+ 270.10038 157.1
[M+K]+ 291.02972 155.6
[M-H]- 251.05928 147.5
[M+Na-2H]- 273.04123 155.5
[M]+ 252.06601 152.6
[M]- 252.06711 152.6
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.