CID 113325

Carbamic acid, 1,3-phenylenebis((3-methoxyphenyl)-, diethyl ester

Structural Information

Molecular Formula
C26H28N2O6
SMILES
CCOC(=O)N(C1=CC(=CC=C1)N(C2=CC(=CC=C2)OC)C(=O)OCC)C3=CC(=CC=C3)OC
InChI
InChI=1S/C26H28N2O6/c1-5-33-25(29)27(21-12-8-14-23(17-21)31-3)19-10-7-11-20(16-19)28(26(30)34-6-2)22-13-9-15-24(18-22)32-4/h7-18H,5-6H2,1-4H3
InChIKey
FSNOPHPEVIQHHY-UHFFFAOYSA-N
Compound name
ethyl N-[3-(N-ethoxycarbonyl-3-methoxyanilino)phenyl]-N-(3-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

464.19473 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.20201 213.2
[M+Na]+ 487.18395 215.9
[M-H]- 463.18745 224.7
[M+NH4]+ 482.22855 221.0
[M+K]+ 503.15789 216.2
[M+H-H2O]+ 447.19199 201.1
[M+HCOO]- 509.19293 237.0
[M+CH3COO]- 523.20858 243.7
[M+Na-2H]- 485.16940 212.6
[M]+ 464.19418 221.1
[M]- 464.19528 221.1
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