CID 443600

Actinonin

Structural Information

Molecular Formula
C19H35N3O5
SMILES
CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
InChI
InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
InChIKey
XJLATMLVMSFZBN-VYDXJSESSA-N
Compound name
(2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

224
References

2888
Patents

385.25766 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.26494 195.5
[M+Na]+ 408.24688 195.5
[M+NH4]+ 403.29148 196.4
[M+K]+ 424.22082 197.3
[M-H]- 384.25038 191.0
[M+Na-2H]- 406.23233 191.0
[M]+ 385.25711 193.0
[M]- 385.25821 193.0
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