CID 137949265

2137493-38-8

Structural Information

Molecular Formula
C22H19N3O6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CN4C=CC(=O)NC4=O)C(=O)O
InChI
InChI=1S/C22H19N3O6/c26-19-9-10-25(21(29)24-19)11-18(20(27)28)23-22(30)31-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17-18H,11-12H2,(H,23,30)(H,27,28)(H,24,26,29)
InChIKey
UQWVYOFMHWDMPM-UHFFFAOYSA-N
Compound name
3-(2,4-dioxopyrimidin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.12738 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.13466 194.1
[M+Na]+ 444.11660 200.2
[M-H]- 420.12010 197.9
[M+NH4]+ 439.16120 202.8
[M+K]+ 460.09054 195.6
[M+H-H2O]+ 404.12464 184.9
[M+HCOO]- 466.12558 209.9
[M+CH3COO]- 480.14123 223.7
[M+Na-2H]- 442.10205 195.8
[M]+ 421.12683 196.2
[M]- 421.12793 196.2
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.