CID 47017

64050-79-9

Structural Information

Molecular Formula
C17H21N2O2
SMILES
CN(C1=CC=CC=C1)C(=O)OC2=CC=CC(=C2)[N+](C)(C)C
InChI
InChI=1S/C17H21N2O2/c1-18(14-9-6-5-7-10-14)17(20)21-16-12-8-11-15(13-16)19(2,3)4/h5-13H,1-4H3/q+1
InChIKey
HNQBLEDYPLDITA-UHFFFAOYSA-N
Compound name
trimethyl-[3-[methyl(phenyl)carbamoyl]oxyphenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1603 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16758 166.2
[M+Na]+ 308.14952 171.4
[M-H]- 284.15302 175.7
[M+NH4]+ 303.19412 182.3
[M+K]+ 324.12346 164.7
[M+H-H2O]+ 268.15756 160.6
[M+HCOO]- 330.15850 191.1
[M+CH3COO]- 344.17415 204.0
[M+Na-2H]- 306.13497 174.3
[M]+ 285.15975 167.5
[M]- 285.16085 167.5
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.