CID 204752

Wv 0001

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CC1=CC(=C(C=C1N(C(=O)C)C(=O)C)C(C)C)OCCN(C)C
InChI
InChI=1S/C18H28N2O3/c1-12(2)16-11-17(20(14(4)21)15(5)22)13(3)10-18(16)23-9-8-19(6)7/h10-12H,8-9H2,1-7H3
InChIKey
OSSXLZZIVPVNOZ-UHFFFAOYSA-N
Compound name
N-acetyl-N-[4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.217276 179.1
[M+Na]+ 343.199218 183.9
[M-H]- 319.202724 185.3
[M+NH4]+ 338.243823 194.6
[M+K]+ 359.173158 184.7
[M+H-H2O]+ 303.207260 171.4
[M+HCOO]- 365.208201 201.8
[M+CH3COO]- 379.223851 224.5
[M+Na-2H]- 341.184666 176.1
[M]+ 320.20945142 185.4
[M]- 320.21054858 185.4
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.