CID 364272

Nsc630289

Structural Information

Molecular Formula
C21H33NO3
SMILES
CCCCC(C(=O)C(C)C)C(=O)C(=O)NC1C2CC3CC(C2)CC1C3
InChI
InChI=1S/C21H33NO3/c1-4-5-6-17(19(23)12(2)3)20(24)21(25)22-18-15-8-13-7-14(10-15)11-16(18)9-13/h12-18H,4-11H2,1-3H3,(H,22,25)
InChIKey
XPCHNDLQEKKZFY-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)-3-(2-methylpropanoyl)-2-oxoheptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.24603 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.253306 189.8
[M+Na]+ 370.235248 185.8
[M-H]- 346.238754 182.7
[M+NH4]+ 365.279853 206.8
[M+K]+ 386.209188 183.9
[M+H-H2O]+ 330.243290 184.0
[M+HCOO]- 392.244231 190.6
[M+CH3COO]- 406.259881 227.6
[M+Na-2H]- 368.220696 190.2
[M]+ 347.24548142 190.2
[M]- 347.24657858 190.2
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.