CID 13009309

169396-92-3

Structural Information

Molecular Formula
C26H26N4O7
SMILES
CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
InChI
InChI=1S/C26H26N4O7/c1-16-12-30(25(35)28-24(16)34)13-22(31)29(14-23(32)33)11-10-27-26(36)37-15-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,12,21H,10-11,13-15H2,1H3,(H,27,36)(H,32,33)(H,28,34,35)
InChIKey
REUYSHQBEXUIRY-UHFFFAOYSA-N
Compound name
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

506.18015 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.18743 216.4
[M+Na]+ 529.16937 225.1
[M+NH4]+ 524.21397 218.1
[M+K]+ 545.14331 223.5
[M-H]- 505.17287 216.8
[M+Na-2H]- 527.15482 218.0
[M]+ 506.17960 217.0
[M]- 506.18070 217.0
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

patents stripe