CID 9889471

(3s)-2-((2r)-2-(2-(hydroxyamino)-2-oxoethyl)heptanoyl)-n-((3s,4s)-3-methyl-5-oxoheptan-4-yl)diazinane-3-carboxamide

Structural Information

Molecular Formula
C22H40N4O5
SMILES
CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H](CCCN1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)CC
InChI
InChI=1S/C22H40N4O5/c1-5-8-9-11-16(14-19(28)25-31)22(30)26-17(12-10-13-23-26)21(29)24-20(15(4)6-2)18(27)7-3/h15-17,20,23,31H,5-14H2,1-4H3,(H,24,29)(H,25,28)/t15-,16+,17-,20-/m0/s1
InChIKey
IWWYEUSBHSDVOX-CLWJZODNSA-N
Compound name
(3S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3S,4S)-3-methyl-5-oxoheptan-4-yl]diazinane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

440.29987 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.30715 210.4
[M+Na]+ 463.28909 206.8
[M-H]- 439.29259 205.8
[M+NH4]+ 458.33369 214.2
[M+K]+ 479.26303 205.6
[M+H-H2O]+ 423.29713 201.6
[M+HCOO]- 485.29807 217.9
[M+CH3COO]- 499.31372 234.9
[M+Na-2H]- 461.27454 201.1
[M]+ 440.29932 206.9
[M]- 440.30042 206.9
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.