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]+ 271.12078 162.4
[M+Na]+ 293.10272 169.0
[M-H]- 269.10622 165.2
[M+NH4]+ 288.14732 179.1
[M+K]+ 309.07666 164.6
[M+H-H2O]+ 253.11076 156.3
[M+HCOO]- 315.11170 182.2
[M+CH3COO]- 329.12735 202.7
[M+Na-2H]- 291.08817 164.8
[M]+ 270.11295 165.6
[M]- 270.11405 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.