CID 455995

Naphth-l-ala(o-ibu) oxalamide deriv.

Structural Information

Molecular Formula
C36H40N2O6
SMILES
CC(C)COC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)C(=O)NC(CC3=CC=CC4=CC=CC=C43)C(=O)OCC(C)C
InChI
InChI=1S/C36H40N2O6/c1-23(2)21-43-35(41)31(19-27-15-9-13-25-11-5-7-17-29(25)27)37-33(39)34(40)38-32(36(42)44-22-24(3)4)20-28-16-10-14-26-12-6-8-18-30(26)28/h5-18,23-24,31-32H,19-22H2,1-4H3,(H,37,39)(H,38,40)
InChIKey
HKAHFWKHMKXTER-UHFFFAOYSA-N
Compound name
2-methylpropyl 2-[[2-[[1-(2-methylpropoxy)-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-2-oxoacetyl]amino]-3-naphthalen-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.28864 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.29592 247.4
[M+Na]+ 619.27786 244.7
[M-H]- 595.28136 252.6
[M+NH4]+ 614.32246 249.3
[M+K]+ 635.25180 243.2
[M+H-H2O]+ 579.28590 235.9
[M+HCOO]- 641.28684 260.0
[M+CH3COO]- 655.30249 267.1
[M+Na-2H]- 617.26331 242.7
[M]+ 596.28809 251.8
[M]- 596.28919 251.8
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.