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 157.8
[M+Na]+ 275.05578 168.2
[M-H]- 251.05928 159.7
[M+NH4]+ 270.10038 173.4
[M+K]+ 291.02972 162.8
[M+H-H2O]+ 235.06382 146.5
[M+HCOO]- 297.06476 172.4
[M+CH3COO]- 311.08041 204.9
[M+Na-2H]- 273.04123 159.0
[M]+ 252.06601 154.4
[M]- 252.06711 154.4
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.