CID 46944

Tl-1262

Structural Information

Molecular Formula
C18H23N2O2
SMILES
CC1=C(C=C(C=C1)[N+](C)(C)CC2=CC=CC=C2)OC(=O)NC
InChI
InChI=1S/C18H22N2O2/c1-14-10-11-16(12-17(14)22-18(21)19-2)20(3,4)13-15-8-6-5-7-9-15/h5-12H,13H2,1-4H3/p+1
InChIKey
LGMBVHXKANIHKZ-UHFFFAOYSA-O
Compound name
benzyl-dimethyl-[4-methyl-3-(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 170.9
[M+Na]+ 322.16518 176.4
[M-H]- 298.16868 179.1
[M+NH4]+ 317.20978 186.2
[M+K]+ 338.13912 168.2
[M+H-H2O]+ 282.17322 165.5
[M+HCOO]- 344.17416 195.0
[M+CH3COO]- 358.18981 204.8
[M+Na-2H]- 320.15063 178.6
[M]+ 299.17541 171.7
[M]- 299.17651 171.7
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.