CID 3272310

55145-12-5

Structural Information

Molecular Formula
C28H30N4O6
SMILES
C1=CC=C(C=C1)CC(C(=O)NC2=CC3=CC=CC=C3C=C2)NC(=O)CNC(=O)CNC(=O)CCCC(=O)O
InChI
InChI=1S/C28H30N4O6/c33-24(11-6-12-27(36)37)29-17-25(34)30-18-26(35)32-23(15-19-7-2-1-3-8-19)28(38)31-22-14-13-20-9-4-5-10-21(20)16-22/h1-5,7-10,13-14,16,23H,6,11-12,15,17-18H2,(H,29,33)(H,30,34)(H,31,38)(H,32,35)(H,36,37)
InChIKey
SCRMMJVITKQLCL-UHFFFAOYSA-N
Compound name
5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.21655 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.22383 220.5
[M+Na]+ 541.20577 217.5
[M-H]- 517.20927 224.2
[M+NH4]+ 536.25037 223.5
[M+K]+ 557.17971 215.7
[M+H-H2O]+ 501.21381 209.6
[M+HCOO]- 563.21475 238.2
[M+CH3COO]- 577.23040 253.0
[M+Na-2H]- 539.19122 219.8
[M]+ 518.21600 219.7
[M]- 518.21710 219.7
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.