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]+ 321.21728 179.1
[M+Na]+ 343.19922 183.9
[M-H]- 319.20272 185.3
[M+NH4]+ 338.24382 194.6
[M+K]+ 359.17316 184.7
[M+H-H2O]+ 303.20726 171.4
[M+HCOO]- 365.20820 201.8
[M+CH3COO]- 379.22385 224.5
[M+Na-2H]- 341.18467 176.1
[M]+ 320.20945 185.4
[M]- 320.21055 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.