CID 11660192

K6pc-5

Structural Information

Molecular Formula
C19H37NO4
SMILES
CCCCCCCC(=O)C(CCCCCC)C(=O)NC(CO)CO
InChI
InChI=1S/C19H37NO4/c1-3-5-7-9-11-13-18(23)17(12-10-8-6-4-2)19(24)20-16(14-21)15-22/h16-17,21-22H,3-15H2,1-2H3,(H,20,24)
InChIKey
CGYVFCHCRBGGJG-UHFFFAOYSA-N
Compound name
N-(1,3-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

56
Patents

343.27225 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.27953 193.3
[M+Na]+ 366.26147 192.9
[M-H]- 342.26497 188.5
[M+NH4]+ 361.30607 204.6
[M+K]+ 382.23541 190.4
[M+H-H2O]+ 326.26951 186.2
[M+HCOO]- 388.27045 208.1
[M+CH3COO]- 402.28610 214.9
[M+Na-2H]- 364.24692 187.7
[M]+ 343.27170 196.5
[M]- 343.27280 196.5
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