CID 4161438

Dtxsid201358197

Structural Information

Molecular Formula
C23H40NO3
SMILES
CCCCCCCCCCC(C(=O)C1=CC(=C(C=C1)OC)OC)[N+](C)(C)C
InChI
InChI=1S/C23H40NO3/c1-7-8-9-10-11-12-13-14-15-20(24(2,3)4)23(25)19-16-17-21(26-5)22(18-19)27-6/h16-18,20H,7-15H2,1-6H3/q+1
InChIKey
WSBIWGAVHRAABE-UHFFFAOYSA-N
Compound name
[1-(3,4-dimethoxyphenyl)-1-oxododecan-2-yl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.3008 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.30808 199.1
[M+Na]+ 401.29002 201.8
[M-H]- 377.29352 202.7
[M+NH4]+ 396.33462 211.8
[M+K]+ 417.26396 194.1
[M+H-H2O]+ 361.29806 193.9
[M+HCOO]- 423.29900 218.2
[M+CH3COO]- 437.31465 223.2
[M+Na-2H]- 399.27547 200.2
[M]+ 378.30025 206.0
[M]- 378.30135 206.0
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.