CID 58899

5-chloro-(2-n-butoxyethylamino)benzamide

Structural Information

Molecular Formula
C13H19ClN2O2
SMILES
CCCCOCCNC1=C(C=C(C=C1)Cl)C(=O)N
InChI
InChI=1S/C13H19ClN2O2/c1-2-3-7-18-8-6-16-12-5-4-10(14)9-11(12)13(15)17/h4-5,9,16H,2-3,6-8H2,1H3,(H2,15,17)
InChIKey
GVPOXPZELDAAGI-UHFFFAOYSA-N
Compound name
2-(2-butoxyethylamino)-5-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1135 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.120776 162.4
[M+Na]+ 293.102718 169.0
[M-H]- 269.106224 165.2
[M+NH4]+ 288.147323 179.1
[M+K]+ 309.076658 164.6
[M+H-H2O]+ 253.110760 156.3
[M+HCOO]- 315.111701 182.2
[M+CH3COO]- 329.127351 202.7
[M+Na-2H]- 291.088166 164.8
[M]+ 270.11295142 165.6
[M]- 270.11404858 165.6
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.