CID 369198

Nsc640904

Structural Information

Molecular Formula
C20H31NO2
SMILES
CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(C(C)(C)C)O
InChI
InChI=1S/C20H31NO2/c1-8(2)21(9(3)4)17(23)20-13-10-14(20)12-15(20)11(13)19(10,12)16(22)18(5,6)7/h8-16,22H,1-7H3
InChIKey
RCQVUCUPTXPRIP-UHFFFAOYSA-N
Compound name
4-(1-hydroxy-2,2-dimethylpropyl)-N,N-di(propan-2-yl)cubane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.23547 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.24275 250.6
[M+Na]+ 340.22469 247.9
[M-H]- 316.22819 253.4
[M+NH4]+ 335.26929 244.1
[M+K]+ 356.19863 252.6
[M+H-H2O]+ 300.23273 237.0
[M+HCOO]- 362.23367 248.5
[M+CH3COO]- 376.24932 270.3
[M+Na-2H]- 338.21014 239.3
[M]+ 317.23492 269.2
[M]- 317.23602 269.2
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.