CID 47060

T-1125

Structural Information

Molecular Formula
C17H21N2O2
SMILES
C[N+](C)(C)C1=CC(=CC=C1)OC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C17H20N2O2/c1-19(2,3)15-10-7-11-16(12-15)21-17(20)18-13-14-8-5-4-6-9-14/h4-12H,13H2,1-3H3/p+1
InChIKey
WBWYFPXANWCYLI-UHFFFAOYSA-O
Compound name
[3-(benzylcarbamoyloxy)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1603 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16758 166.5
[M+Na]+ 308.14952 171.5
[M-H]- 284.15302 174.5
[M+NH4]+ 303.19412 182.0
[M+K]+ 324.12346 163.5
[M+H-H2O]+ 268.15756 161.0
[M+HCOO]- 330.15850 190.9
[M+CH3COO]- 344.17415 200.6
[M+Na-2H]- 306.13497 175.3
[M]+ 285.15975 166.6
[M]- 285.16085 166.6
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.