CID 54687952

Benzyl n-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,5-dipropyl-3-furyl)methyl]phenyl]carbamate

Structural Information

Molecular Formula
C28H33NO5
SMILES
CCCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC(=CC=C3)NC(=O)OCC4=CC=CC=C4)O)CCC
InChI
InChI=1S/C28H33NO5/c1-3-15-28(16-4-2)25(30)24(26(31)34-28)23(20-13-14-20)21-11-8-12-22(17-21)29-27(32)33-18-19-9-6-5-7-10-19/h5-12,17,20,23,30H,3-4,13-16,18H2,1-2H3,(H,29,32)
InChIKey
WLKZKXAMMDWNLD-UHFFFAOYSA-N
Compound name
benzyl N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)methyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.23587 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.24315 205.0
[M+Na]+ 486.22509 210.1
[M-H]- 462.22859 216.9
[M+NH4]+ 481.26969 210.0
[M+K]+ 502.19903 206.8
[M+H-H2O]+ 446.23313 197.5
[M+HCOO]- 508.23407 223.4
[M+CH3COO]- 522.24972 235.5
[M+Na-2H]- 484.21054 203.2
[M]+ 463.23532 211.4
[M]- 463.23642 211.4
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.