CID 989468

60387-40-8

Structural Information

Molecular Formula
C25H22N2O6
SMILES
C1=COC(=C1)COC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)OCC4=CC=CO4
InChI
InChI=1S/C25H22N2O6/c28-24(32-16-22-3-1-13-30-22)26-20-9-5-18(6-10-20)15-19-7-11-21(12-8-19)27-25(29)33-17-23-4-2-14-31-23/h1-14H,15-17H2,(H,26,28)(H,27,29)
InChIKey
VHQLRZFQTDYMKO-UHFFFAOYSA-N
Compound name
furan-2-ylmethyl N-[4-[[4-(furan-2-ylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.1478 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.155076 205.0
[M+Na]+ 469.137018 209.2
[M-H]- 445.140524 219.6
[M+NH4]+ 464.181623 213.0
[M+K]+ 485.110958 208.4
[M+H-H2O]+ 429.145060 195.7
[M+HCOO]- 491.146001 230.6
[M+CH3COO]- 505.161651 229.4
[M+Na-2H]- 467.122466 206.5
[M]+ 446.14725142 211.6
[M]- 446.14834858 211.6
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.