CID 6477689

5-iodo-1-[(z)-4-trityloxybut-2-enyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C27H23IN2O3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC/C=C\CN4C=C(C(=O)NC4=O)I
InChI
InChI=1S/C27H23IN2O3/c28-24-20-30(26(32)29-25(24)31)18-10-11-19-33-27(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-17,20H,18-19H2,(H,29,31,32)/b11-10-
InChIKey
SWHPKXRLNGHSKX-KHPPLWFESA-N
Compound name
5-iodo-1-[(Z)-4-trityloxybut-2-enyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

550.0753 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.08258 218.6
[M+Na]+ 573.06452 217.2
[M-H]- 549.06802 218.3
[M+NH4]+ 568.10912 218.3
[M+K]+ 589.03846 214.5
[M+H-H2O]+ 533.07256 201.8
[M+HCOO]- 595.07350 230.1
[M+CH3COO]- 609.08915 231.5
[M+Na-2H]- 571.04997 210.7
[M]+ 550.07475 214.7
[M]- 550.07585 214.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.