CID 64253

27865-89-0

Structural Information

Molecular Formula
C22H37NO2
SMILES
CC1(C=CC(N1CC(COCC23CC4CC(C2)CC(C4)C3)O)(C)C)C
InChI
InChI=1S/C22H37NO2/c1-20(2)5-6-21(3,4)23(20)13-19(24)14-25-15-22-10-16-7-17(11-22)9-18(8-16)12-22/h5-6,16-19,24H,7-15H2,1-4H3
InChIKey
ACPNQJCCWVHJQP-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethoxy)-3-(2,2,5,5-tetramethylpyrrol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.28244 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.28972 189.7
[M+Na]+ 370.27166 196.6
[M+NH4]+ 365.31626 203.5
[M+K]+ 386.24560 185.2
[M-H]- 346.27516 187.6
[M+Na-2H]- 368.25711 186.9
[M]+ 347.28189 190.4
[M]- 347.28299 190.4
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.