CID 32773

25027-87-6

Structural Information

Molecular Formula
C17H27ClN2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN(C)CCCCCCCl
InChI
InChI=1S/C17H27ClN2O/c1-14-9-8-10-15(2)17(14)19-16(21)13-20(3)12-7-5-4-6-11-18/h8-10H,4-7,11-13H2,1-3H3,(H,19,21)
InChIKey
HTUQRKOSCBUGES-UHFFFAOYSA-N
Compound name
2-[6-chlorohexyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.18118 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.188456 178.4
[M+Na]+ 333.170398 183.5
[M-H]- 309.173904 182.4
[M+NH4]+ 328.215003 194.5
[M+K]+ 349.144338 179.3
[M+H-H2O]+ 293.178440 171.5
[M+HCOO]- 355.179381 197.7
[M+CH3COO]- 369.195031 216.0
[M+Na-2H]- 331.155846 178.8
[M]+ 310.18063142 183.8
[M]- 310.18172858 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

No patent data available for this compound.