CID 307485

Bis(2-phenoxyethyl) n,n'-(4-methyl-1,3-phenylene)biscarbamate

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 207.2
[M+Na]+ 473.16830 209.2
[M-H]- 449.17180 215.6
[M+NH4]+ 468.21290 214.0
[M+K]+ 489.14224 206.7
[M+H-H2O]+ 433.17634 195.3
[M+HCOO]- 495.17728 230.3
[M+CH3COO]- 509.19293 233.3
[M+Na-2H]- 471.15375 209.4
[M]+ 450.17853 211.8
[M]- 450.17963 211.8
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