CID 312051

Nsc220130

Structural Information

Molecular Formula
C23H21NO6
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)OC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C23H21NO6/c1-27-19-12-13-21(28-2)20(14-19)24-23(26)30-18-10-8-17(9-11-18)22(25)29-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,24,26)
InChIKey
ZTLUAUIKWQPOAL-UHFFFAOYSA-N
Compound name
benzyl 4-[(2,5-dimethoxyphenyl)carbamoyloxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1369 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.14418 196.0
[M+Na]+ 430.12612 200.8
[M-H]- 406.12962 205.5
[M+NH4]+ 425.17072 205.3
[M+K]+ 446.10006 198.6
[M+H-H2O]+ 390.13416 185.1
[M+HCOO]- 452.13510 218.9
[M+CH3COO]- 466.15075 224.2
[M+Na-2H]- 428.11157 197.8
[M]+ 407.13635 201.3
[M]- 407.13745 201.3
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.