CID 3076236

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

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)OC2=CC=CC=C2CN3CCOCC3)C
InChI
InChI=1S/C21H26N2O3/c1-15-12-16(2)20(17(3)13-15)22-21(24)26-19-7-5-4-6-18(19)14-23-8-10-25-11-9-23/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,24)
InChIKey
XXMCYVGBBYXYQN-UHFFFAOYSA-N
Compound name
[2-(morpholin-4-ylmethyl)phenyl] N-(2,4,6-trimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.201616 188.5
[M+Na]+ 377.183558 193.1
[M-H]- 353.187064 196.8
[M+NH4]+ 372.228163 198.1
[M+K]+ 393.157498 190.1
[M+H-H2O]+ 337.191600 177.9
[M+HCOO]- 399.192541 206.0
[M+CH3COO]- 413.208191 217.4
[M+Na-2H]- 375.169006 189.3
[M]+ 354.19379142 187.8
[M]- 354.19488858 187.8
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.