CID 12028

Trimecaine

Structural Information

Molecular Formula
C15H24N2O
SMILES
CCN(CC)CC(=O)NC1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C15H24N2O/c1-6-17(7-2)10-14(18)16-15-12(4)8-11(3)9-13(15)5/h8-9H,6-7,10H2,1-5H3,(H,16,18)
InChIKey
GOZBHBFUQHMKQB-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

318
References

6237
Patents

248.18886 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.196136 161.4
[M+Na]+ 271.178078 167.6
[M-H]- 247.181584 166.5
[M+NH4]+ 266.222683 179.6
[M+K]+ 287.152018 166.1
[M+H-H2O]+ 231.186120 154.4
[M+HCOO]- 293.187061 185.9
[M+CH3COO]- 307.202711 207.6
[M+Na-2H]- 269.163526 162.8
[M]+ 248.18831142 164.5
[M]- 248.18940858 164.5
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