CID 139590720

Bacillamidin d

Structural Information

Molecular Formula
C19H34N2O3
SMILES
CC(C)CCCCCCCC(=O)N[C@@H]1CC(=O)N(C1=O)CC(C)C
InChI
InChI=1S/C19H34N2O3/c1-14(2)10-8-6-5-7-9-11-17(22)20-16-12-18(23)21(19(16)24)13-15(3)4/h14-16H,5-13H2,1-4H3,(H,20,22)/t16-/m1/s1
InChIKey
YKUQKHYXHKQRBF-MRXNPFEDSA-N
Compound name
9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.25696 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.26424 188.1
[M+Na]+ 361.24618 190.9
[M-H]- 337.24968 188.9
[M+NH4]+ 356.29078 202.0
[M+K]+ 377.22012 188.3
[M+H-H2O]+ 321.25422 180.7
[M+HCOO]- 383.25516 205.0
[M+CH3COO]- 397.27081 218.7
[M+Na-2H]- 359.23163 181.7
[M]+ 338.25641 190.6
[M]- 338.25751 190.6
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.