CID 3075541

185759-05-1

Structural Information

Molecular Formula
C19H20ClNO4
SMILES
C1COC(CN1CCOC(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H20ClNO4/c20-16-8-6-15(7-9-16)18-14-21(10-12-23-18)11-13-24-19(22)25-17-4-2-1-3-5-17/h1-9,18H,10-14H2
InChIKey
DQXNORXQDGQGAW-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1081 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.115376 183.6
[M+Na]+ 384.097318 188.7
[M-H]- 360.100824 191.3
[M+NH4]+ 379.141923 193.4
[M+K]+ 400.071258 185.2
[M+H-H2O]+ 344.105360 173.6
[M+HCOO]- 406.106301 196.4
[M+CH3COO]- 420.121951 209.6
[M+Na-2H]- 382.082766 186.0
[M]+ 361.10755142 185.7
[M]- 361.10864858 185.7
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.