CID 46954

Tl-1513

Structural Information

Molecular Formula
C15H23N2O4
SMILES
CCOC(=O)C[N+](C)(C)C1=CC(=C(C=C1)C)OC(=O)NC
InChI
InChI=1S/C15H22N2O4/c1-6-20-14(18)10-17(4,5)12-8-7-11(2)13(9-12)21-15(19)16-3/h7-9H,6,10H2,1-5H3/p+1
InChIKey
QUPJKWFAYWETDT-UHFFFAOYSA-O
Compound name
(2-ethoxy-2-oxoethyl)-dimethyl-[4-methyl-3-(methylcarbamoyloxy)phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.16577 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17305 167.0
[M+Na]+ 318.15499 172.6
[M-H]- 294.15849 172.2
[M+NH4]+ 313.19959 182.7
[M+K]+ 334.12893 166.8
[M+H-H2O]+ 278.16303 162.8
[M+HCOO]- 340.16397 190.3
[M+CH3COO]- 354.17962 203.2
[M+Na-2H]- 316.14044 172.9
[M]+ 295.16522 170.6
[M]- 295.16632 170.6
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.