CID 132321

140923-32-6

Structural Information

Molecular Formula
C22H40N4O5
SMILES
CCCCCC(CC(=O)N)C(=O)N1C(CCCN1O)C(=O)NC(C(C)CC)C(=O)CC
InChI
InChI=1S/C22H40N4O5/c1-5-8-9-11-16(14-19(23)28)22(30)26-17(12-10-13-25(26)31)21(29)24-20(15(4)6-2)18(27)7-3/h15-17,20,31H,5-14H2,1-4H3,(H2,23,28)(H,24,29)
InChIKey
MFCWMNKVHYMTPT-UHFFFAOYSA-N
Compound name
2-[2-(2-amino-2-oxoethyl)heptanoyl]-1-hydroxy-N-(3-methyl-5-oxoheptan-4-yl)diazinane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

440.29987 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.30715 206.7
[M+Na]+ 463.28909 207.3
[M+NH4]+ 458.33369 223.4
[M+K]+ 479.26303 207.7
[M-H]- 439.29259 202.0
[M+Na-2H]- 461.27454 201.7
[M]+ 440.29932 204.2
[M]- 440.30042 204.2
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

patents stripe