CID 146683657

Nostamide c

Structural Information

Molecular Formula
C41H59N7O8
SMILES
CCC(C)C(C(=O)O)NC(=O)NC1CCCCNC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(NC1=O)C(C)C)CCC2=CC=CC=C2)C)C)CC3=CC=CC=C3
InChI
InChI=1S/C41H59N7O8/c1-7-26(4)34(40(54)55)47-41(56)45-30-20-14-15-23-42-36(50)32(24-29-18-12-9-13-19-29)44-35(49)27(5)48(6)39(53)31(22-21-28-16-10-8-11-17-28)43-38(52)33(25(2)3)46-37(30)51/h8-13,16-19,25-27,30-34H,7,14-15,20-24H2,1-6H3,(H,42,50)(H,43,52)(H,44,49)(H,46,51)(H,54,55)(H2,45,47,56)
InChIKey
KGFUYDMPOJTFDW-UHFFFAOYSA-N
Compound name
2-[[3-benzyl-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

777.4425 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 778.44978 283.6
[M+Na]+ 800.43172 286.9
[M-H]- 776.43522 275.3
[M+NH4]+ 795.47632 281.5
[M+K]+ 816.40566 264.5
[M+H-H2O]+ 760.43976 251.2
[M+HCOO]- 822.44070 282.2
[M+CH3COO]- 836.45635 287.2
[M+Na-2H]- 798.41717 293.9
[M]+ 777.44195 299.9
[M]- 777.44305 299.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.