CID 46080

Aniline, n,n-dimethyl-3-(n-phenylcarbamoyloxy)-, hydrochloride

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CN(C)C1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C15H16N2O2/c1-17(2)13-9-6-10-14(11-13)19-15(18)16-12-7-4-3-5-8-12/h3-11H,1-2H3,(H,16,18)
InChIKey
YNGSTYODGGYXSA-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)phenyl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.1212 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 158.5
[M+Na]+ 279.11042 164.0
[M-H]- 255.11392 166.5
[M+NH4]+ 274.15502 175.0
[M+K]+ 295.08436 162.2
[M+H-H2O]+ 239.11846 150.0
[M+HCOO]- 301.11940 184.7
[M+CH3COO]- 315.13505 202.2
[M+Na-2H]- 277.09587 164.0
[M]+ 256.12065 159.4
[M]- 256.12175 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.