CID 47037

Tl-777

Structural Information

Molecular Formula
C19H31N2O2
SMILES
CC1=C(C(=C(C=C1)C(C)C)[N+](C)(C)C)OC(=O)N2CCCCC2
InChI
InChI=1S/C19H31N2O2/c1-14(2)16-11-10-15(3)18(17(16)21(4,5)6)23-19(22)20-12-8-7-9-13-20/h10-11,14H,7-9,12-13H2,1-6H3/q+1
InChIKey
FHIQPLCEFDJFFO-UHFFFAOYSA-N
Compound name
trimethyl-[3-methyl-2-(piperidine-1-carbonyloxy)-6-propan-2-ylphenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.23856 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.24584 177.7
[M+Na]+ 342.22778 181.4
[M-H]- 318.23128 183.7
[M+NH4]+ 337.27238 191.3
[M+K]+ 358.20172 174.0
[M+H-H2O]+ 302.23582 172.2
[M+HCOO]- 364.23676 193.9
[M+CH3COO]- 378.25241 208.5
[M+Na-2H]- 340.21323 180.2
[M]+ 319.23801 175.6
[M]- 319.23911 175.6
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.