CID 53384635

Era

Structural Information

Molecular Formula
C37H73NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(=O)CCCCCCCCCCCC
InChI
InChI=1S/C37H73NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-37(41)38-35(34-39)36(40)32-30-28-26-24-14-12-10-8-6-4-2/h35,39H,3-34H2,1-2H3,(H,38,41)
InChIKey
JDZKOKNNERPZPI-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-3-oxopentadecan-2-yl)docosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.559 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.56628 263.7
[M+Na]+ 602.54822 269.9
[M-H]- 578.55172 249.9
[M+NH4]+ 597.59282 263.0
[M+K]+ 618.52216 271.2
[M+H-H2O]+ 562.55626 262.2
[M+HCOO]- 624.55720 262.7
[M+CH3COO]- 638.57285 266.2
[M+Na-2H]- 600.53367 246.7
[M]+ 579.55845 260.5
[M]- 579.55955 260.5
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.