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 190.9
[M+Na]+ 370.27166 192.5
[M-H]- 346.27516 185.8
[M+NH4]+ 365.31626 214.6
[M+K]+ 386.24560 187.1
[M+H-H2O]+ 330.27970 182.2
[M+HCOO]- 392.28064 191.8
[M+CH3COO]- 406.29629 196.3
[M+Na-2H]- 368.25711 194.3
[M]+ 347.28189 192.5
[M]- 347.28299 192.5
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.