CID 3017607

2-chloro-n-(2-ethyl-6-methylphenyl)-n-(2-hydroxy-1-methylethyl)acetamide

Structural Information

Molecular Formula
C14H20ClNO2
SMILES
CCC1=CC=CC(=C1N(C(C)CO)C(=O)CCl)C
InChI
InChI=1S/C14H20ClNO2/c1-4-12-7-5-6-10(2)14(12)16(11(3)9-17)13(18)8-15/h5-7,11,17H,4,8-9H2,1-3H3
InChIKey
RNRZTRIOAPZEME-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.11826 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12554 162.1
[M+Na]+ 292.10748 168.7
[M-H]- 268.11098 165.6
[M+NH4]+ 287.15208 179.5
[M+K]+ 308.08142 165.5
[M+H-H2O]+ 252.11552 156.6
[M+HCOO]- 314.11646 179.3
[M+CH3COO]- 328.13211 202.4
[M+Na-2H]- 290.09293 162.4
[M]+ 269.11771 166.2
[M]- 269.11881 166.2
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