CID 13888003

100898-62-2

Structural Information

Molecular Formula
C34H37N3O7
SMILES
CC(C)C(=O)NC1=NC(=O)N(C=C1)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
InChI
InChI=1S/C34H37N3O7/c1-22(2)32(39)35-30-18-19-37(33(40)36-30)31-20-28(38)29(44-31)21-43-34(23-8-6-5-7-9-23,24-10-14-26(41-3)15-11-24)25-12-16-27(42-4)17-13-25/h5-19,22,28-29,31,38H,20-21H2,1-4H3,(H,35,36,39,40)
InChIKey
UGBSAMWXUKFNAH-UHFFFAOYSA-N
Compound name
N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

599.2631 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.27038 242.5
[M+Na]+ 622.25232 243.8
[M-H]- 598.25582 254.5
[M+NH4]+ 617.29692 240.0
[M+K]+ 638.22626 241.8
[M+H-H2O]+ 582.26036 229.2
[M+HCOO]- 644.26130 254.9
[M+CH3COO]- 658.27695 260.2
[M+Na-2H]- 620.23777 239.3
[M]+ 599.26255 245.8
[M]- 599.26365 245.8
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

No patent data available for this compound.