CID 46593

Tl-1464

Structural Information

Molecular Formula
C19H33N2O2
SMILES
CCCCCCCC1=C(C=CC(=C1)OC(=O)N(C)C)[N+](C)(C)C
InChI
InChI=1S/C19H33N2O2/c1-7-8-9-10-11-12-16-15-17(23-19(22)20(2)3)13-14-18(16)21(4,5)6/h13-15H,7-12H2,1-6H3/q+1
InChIKey
GDRIRNZTSGLQOM-UHFFFAOYSA-N
Compound name
[4-(dimethylcarbamoyloxy)-2-heptylphenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2542 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.26148 180.8
[M+Na]+ 344.24342 185.0
[M-H]- 320.24692 186.6
[M+NH4]+ 339.28802 196.4
[M+K]+ 360.21736 178.6
[M+H-H2O]+ 304.25146 175.9
[M+HCOO]- 366.25240 203.6
[M+CH3COO]- 380.26805 215.6
[M+Na-2H]- 342.22887 184.7
[M]+ 321.25365 185.8
[M]- 321.25475 185.8
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.