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]+ 362.11538 183.6
[M+Na]+ 384.09732 188.7
[M-H]- 360.10082 191.3
[M+NH4]+ 379.14192 193.4
[M+K]+ 400.07126 185.2
[M+H-H2O]+ 344.10536 173.6
[M+HCOO]- 406.10630 196.4
[M+CH3COO]- 420.12195 209.6
[M+Na-2H]- 382.08277 186.0
[M]+ 361.10755 185.7
[M]- 361.10865 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.