CID 116854

Carbamic acid, [2-[ethyl(3-methylphenyl)amino]phenyl]-, ethyl ester

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CCN(C1=CC=CC(=C1)C)C2=CC=CC=C2NC(=O)OCC
InChI
InChI=1S/C18H22N2O2/c1-4-20(15-10-8-9-14(3)13-15)17-12-7-6-11-16(17)19-18(21)22-5-2/h6-13H,4-5H2,1-3H3,(H,19,21)
InChIKey
WYZVJXUEYWUVMU-UHFFFAOYSA-N
Compound name
ethyl N-[2-(N-ethyl-3-methylanilino)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 172.3
[M+Na]+ 321.15734 177.4
[M-H]- 297.16084 180.1
[M+NH4]+ 316.20194 187.5
[M+K]+ 337.13128 175.1
[M+H-H2O]+ 281.16538 163.4
[M+HCOO]- 343.16632 197.5
[M+CH3COO]- 357.18197 212.4
[M+Na-2H]- 319.14279 175.5
[M]+ 298.16757 174.8
[M]- 298.16867 174.8
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.