CID 218983

41457-01-6

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC1(C=CC(N1CC(COC2=CC=CC=C2)O)(C)C)C
InChI
InChI=1S/C17H25NO2/c1-16(2)10-11-17(3,4)18(16)12-14(19)13-20-15-8-6-5-7-9-15/h5-11,14,19H,12-13H2,1-4H3
InChIKey
IQRUXQMRHKIFOL-UHFFFAOYSA-N
Compound name
1-phenoxy-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

275.18854 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 165.8
[M+Na]+ 298.17776 177.1
[M+NH4]+ 293.22236 176.1
[M+K]+ 314.15170 168.8
[M-H]- 274.18126 168.2
[M+Na-2H]- 296.16321 174.4
[M]+ 275.18799 168.4
[M]- 275.18909 168.4
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.