CID 12645

672-10-6

Structural Information

Molecular Formula
C15H24N2O
SMILES
CCC1=CC(=C(C=C1)C)NC(=O)CN(CC)CC
InChI
InChI=1S/C15H24N2O/c1-5-13-9-8-12(4)14(10-13)16-15(18)11-17(6-2)7-3/h8-10H,5-7,11H2,1-4H3,(H,16,18)
InChIKey
PJKWDXKXNIZWSI-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(5-ethyl-2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.18886 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.19614 162.0
[M+Na]+ 271.17808 167.2
[M-H]- 247.18158 166.7
[M+NH4]+ 266.22268 179.8
[M+K]+ 287.15202 165.6
[M+H-H2O]+ 231.18612 154.7
[M+HCOO]- 293.18706 186.5
[M+CH3COO]- 307.20271 206.4
[M+Na-2H]- 269.16353 164.1
[M]+ 248.18831 164.6
[M]- 248.18941 164.6
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.