CID 32769

25027-85-4

Structural Information

Molecular Formula
C15H23ClN2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN(C)CCCCCl
InChI
InChI=1S/C15H23ClN2O/c1-12-7-6-8-13(2)15(12)17-14(19)11-18(3)10-5-4-9-16/h6-8H,4-5,9-11H2,1-3H3,(H,17,19)
InChIKey
WNADAJPDLCWXCF-UHFFFAOYSA-N
Compound name
2-[4-chlorobutyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

282.1499 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15718 169.1
[M+Na]+ 305.13912 175.1
[M-H]- 281.14262 173.6
[M+NH4]+ 300.18372 186.4
[M+K]+ 321.11306 171.4
[M+H-H2O]+ 265.14716 162.6
[M+HCOO]- 327.14810 189.1
[M+CH3COO]- 341.16375 210.0
[M+Na-2H]- 303.12457 170.6
[M]+ 282.14935 173.8
[M]- 282.15045 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe