CID 3076234

Carbamic acid, (2,6-dimethylphenyl)-, 2-(4-morpholinylmethyl)phenyl ester, monohydrochloride

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CC1=C(C(=CC=C1)C)NC(=O)OC2=CC=CC=C2CN3CCOCC3
InChI
InChI=1S/C20H24N2O3/c1-15-6-5-7-16(2)19(15)21-20(23)25-18-9-4-3-8-17(18)14-22-10-12-24-13-11-22/h3-9H,10-14H2,1-2H3,(H,21,23)
InChIKey
UOJUEWFTCYIBRY-UHFFFAOYSA-N
Compound name
[2-(morpholin-4-ylmethyl)phenyl] N-(2,6-dimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.185956 183.5
[M+Na]+ 363.167898 187.6
[M-H]- 339.171404 191.6
[M+NH4]+ 358.212503 193.3
[M+K]+ 379.141838 184.8
[M+H-H2O]+ 323.175940 172.9
[M+HCOO]- 385.176881 201.4
[M+CH3COO]- 399.192531 213.2
[M+Na-2H]- 361.153346 185.6
[M]+ 340.17813142 182.0
[M]- 340.17922858 182.0
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.