CID 10595278

Pramanicin

Structural Information

Molecular Formula
C19H31NO6
SMILES
CCCCCCCCC[C@@H]1[C@H](O1)/C=C/C(=O)[C@]2([C@H]([C@@H](NC2=O)CO)O)O
InChI
InChI=1S/C19H31NO6/c1-2-3-4-5-6-7-8-9-14-15(26-14)10-11-16(22)19(25)17(23)13(12-21)20-18(19)24/h10-11,13-15,17,21,23,25H,2-9,12H2,1H3,(H,20,24)/b11-10+/t13-,14+,15+,17-,19+/m0/s1
InChIKey
BOWRHOKHYKPEAR-YRMVZDNFSA-N
Compound name
(3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-3-[(E)-3-[(2R,3R)-3-nonyloxiran-2-yl]prop-2-enoyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

369.21515 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.22243 187.9
[M+Na]+ 392.20437 194.7
[M+NH4]+ 387.24897 192.2
[M+K]+ 408.17831 193.1
[M-H]- 368.20787 193.1
[M+Na-2H]- 390.18982 189.0
[M]+ 369.21460 191.0
[M]- 369.21570 191.0
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