CID 482824

Schembl15593233

Structural Information

Molecular Formula
C22H45NO4
SMILES
CCCCCCCCCCCCCCCCN1[C@@H]([C@@H]([C@H]([C@H]1CO)O)O)CO
InChI
InChI=1S/C22H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19(17-24)21(26)22(27)20(23)18-25/h19-22,24-27H,2-18H2,1H3/t19-,20-,21+,22+/m1/s1
InChIKey
LDNSKWPCHYMBGC-CZYKHXBRSA-N
Compound name
(2R,3S,4S,5R)-1-hexadecyl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

387.33487 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.34215 203.4
[M+Na]+ 410.32409 204.5
[M-H]- 386.32759 198.0
[M+NH4]+ 405.36869 213.4
[M+K]+ 426.29803 198.8
[M+H-H2O]+ 370.33213 196.2
[M+HCOO]- 432.33307 214.8
[M+CH3COO]- 446.34872 216.5
[M+Na-2H]- 408.30954 196.3
[M]+ 387.33432 206.1
[M]- 387.33542 206.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.