CID 25200791

Schembl24221610

Structural Information

Molecular Formula
C41H83NO5
SMILES
CCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C41H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(45)41(47)42-37(36-43)40(46)38(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37-40,43-46H,3-36H2,1-2H3,(H,42,47)
InChIKey
LXCDJSOYWPJYDC-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)tricosanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

669.62714 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 670.63442 278.2
[M+Na]+ 692.61636 280.1
[M-H]- 668.61986 265.2
[M+NH4]+ 687.66096 274.9
[M+K]+ 708.59030 284.5
[M+H-H2O]+ 652.62440 274.1
[M+HCOO]- 714.62534 265.0
[M+CH3COO]- 728.64099 275.6
[M+Na-2H]- 690.60181 257.5
[M]+ 669.62659 271.7
[M]- 669.62769 271.7
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