CID 53888

77966-42-8

Structural Information

Molecular Formula
C17H27ClN2O
SMILES
CCCCN(CCCC)CC(=O)NC1=C(C=CC=C1Cl)C
InChI
InChI=1S/C17H27ClN2O/c1-4-6-11-20(12-7-5-2)13-16(21)19-17-14(3)9-8-10-15(17)18/h8-10H,4-7,11-13H2,1-3H3,(H,19,21)
InChIKey
GQEIEHAXWCSWHT-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-(dibutylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.18118 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18846 178.4
[M+Na]+ 333.17040 183.5
[M-H]- 309.17390 182.4
[M+NH4]+ 328.21500 194.5
[M+K]+ 349.14434 179.3
[M+H-H2O]+ 293.17844 171.5
[M+HCOO]- 355.17938 197.7
[M+CH3COO]- 369.19503 216.0
[M+Na-2H]- 331.15585 178.8
[M]+ 310.18063 183.8
[M]- 310.18173 183.8
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

patents stripe