CID 46610

Tl-1338

Structural Information

Molecular Formula
C18H23N2O2
SMILES
CC1=C(C=C(C=C1)OC(=O)NC)[N+](C)(C)CC2=CC=CC=C2
InChI
InChI=1S/C18H22N2O2/c1-14-10-11-16(22-18(21)19-2)12-17(14)20(3,4)13-15-8-6-5-7-9-15/h5-12H,13H2,1-4H3/p+1
InChIKey
MTLGUYYZCJFFTL-UHFFFAOYSA-O
Compound name
benzyl-dimethyl-[2-methyl-5-(methylcarbamoyloxy)phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.17596 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.18324 170.4
[M+Na]+ 322.16518 185.0
[M+NH4]+ 317.20978 179.4
[M+K]+ 338.13912 178.5
[M-H]- 298.16868 177.4
[M+Na-2H]- 320.15063 180.4
[M]+ 299.17541 175.0
[M]- 299.17651 175.0
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.