CID 47021

Ar-25

Structural Information

Molecular Formula
C16H19N2O2
SMILES
C[N+](C)(C)C1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H18N2O2/c1-18(2,3)14-10-7-11-15(12-14)20-16(19)17-13-8-5-4-6-9-13/h4-12H,1-3H3/p+1
InChIKey
NNRIFORGOBQWPJ-UHFFFAOYSA-O
Compound name
trimethyl-[3-(phenylcarbamoyloxy)phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.14465 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.15193 161.4
[M+Na]+ 294.13387 176.0
[M+NH4]+ 289.17847 170.8
[M+K]+ 310.10781 169.8
[M-H]- 270.13737 168.4
[M+Na-2H]- 292.11932 172.2
[M]+ 271.14410 165.9
[M]- 271.14520 165.9
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.