CID 307485

75240-24-3

Structural Information

Molecular Formula
C25H26N2O6
SMILES
CC1=C(C=C(C=C1)NC(=O)OCCOC2=CC=CC=C2)NC(=O)OCCOC3=CC=CC=C3
InChI
InChI=1S/C25H26N2O6/c1-19-12-13-20(26-24(28)32-16-14-30-21-8-4-2-5-9-21)18-23(19)27-25(29)33-17-15-31-22-10-6-3-7-11-22/h2-13,18H,14-17H2,1H3,(H,26,28)(H,27,29)
InChIKey
JSQRFEMMOXLJOW-UHFFFAOYSA-N
Compound name
2-phenoxyethyl N-[2-methyl-5-(2-phenoxyethoxycarbonylamino)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

450.17908 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.18636 210.1
[M+Na]+ 473.16830 221.3
[M+NH4]+ 468.21290 214.7
[M+K]+ 489.14224 214.3
[M-H]- 449.17180 215.3
[M+Na-2H]- 471.15375 218.2
[M]+ 450.17853 212.9
[M]- 450.17963 212.9
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

patents stripe