CID 15986

Carbamic acid, (2-phenyl-m-dioxan-5-ylidene)dimethylene ester

Structural Information

Molecular Formula
C14H18N2O6
SMILES
C1C(COC(O1)C2=CC=CC=C2)(COC(=O)N)COC(=O)N
InChI
InChI=1S/C14H18N2O6/c15-12(17)21-8-14(9-22-13(16)18)6-19-11(20-7-14)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,15,17)(H2,16,18)
InChIKey
YXHIAHROUOFDJE-UHFFFAOYSA-N
Compound name
[5-(carbamoyloxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1165 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12378 171.0
[M+Na]+ 333.10572 174.4
[M-H]- 309.10922 177.1
[M+NH4]+ 328.15032 182.9
[M+K]+ 349.07966 176.1
[M+H-H2O]+ 293.11376 163.0
[M+HCOO]- 355.11470 189.5
[M+CH3COO]- 369.13035 205.1
[M+Na-2H]- 331.09117 174.9
[M]+ 310.11595 170.3
[M]- 310.11705 170.3
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.