CID 392559

Nsc693103

Structural Information

Molecular Formula
C20H21N3O5
SMILES
CC1=C(N(C(=O)NC1=O)C(C)OCCN2C(=O)C=CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H21N3O5/c1-13-16(12-15-6-4-3-5-7-15)23(20(27)21-19(13)26)14(2)28-11-10-22-17(24)8-9-18(22)25/h3-9,14H,10-12H2,1-2H3,(H,21,26,27)
InChIKey
MUXVTMRRPPBYSG-UHFFFAOYSA-N
Compound name
6-benzyl-1-[1-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.14813 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15541 188.6
[M+Na]+ 406.13735 197.5
[M-H]- 382.14085 194.1
[M+NH4]+ 401.18195 197.2
[M+K]+ 422.11129 192.0
[M+H-H2O]+ 366.14539 178.3
[M+HCOO]- 428.14633 206.5
[M+CH3COO]- 442.16198 217.6
[M+Na-2H]- 404.12280 186.5
[M]+ 383.14758 192.1
[M]- 383.14868 192.1
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.