CID 382211

Nsc669669

Structural Information

Molecular Formula
C26H33N3O6
SMILES
CC(C)(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)(C)C(=O)OC)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C26H33N3O6/c1-25(2,29-24(33)35-17-19-14-10-7-11-15-19)22(31)27-20(16-18-12-8-6-9-13-18)21(30)28-26(3,4)23(32)34-5/h6-15,20H,16-17H2,1-5H3,(H,27,31)(H,28,30)(H,29,33)
InChIKey
KNKDUFGFOVPCBK-UHFFFAOYSA-N
Compound name
methyl 2-methyl-2-[[2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.23694 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.24422 214.9
[M+Na]+ 506.22616 213.3
[M-H]- 482.22966 219.7
[M+NH4]+ 501.27076 220.1
[M+K]+ 522.20010 213.4
[M+H-H2O]+ 466.23420 205.4
[M+HCOO]- 528.23514 232.1
[M+CH3COO]- 542.25079 244.2
[M+Na-2H]- 504.21161 215.6
[M]+ 483.23639 217.1
[M]- 483.23749 217.1
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.