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]+ 447.15508 205.0
[M+Na]+ 469.13702 209.2
[M-H]- 445.14052 219.6
[M+NH4]+ 464.18162 213.0
[M+K]+ 485.11096 208.4
[M+H-H2O]+ 429.14506 195.7
[M+HCOO]- 491.14600 230.6
[M+CH3COO]- 505.16165 229.4
[M+Na-2H]- 467.12247 206.5
[M]+ 446.14725 211.6
[M]- 446.14835 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.