CID 218989

41457-06-1

Structural Information

Molecular Formula
C19H29NO2
SMILES
CC1=C(C=C(C=C1)OCC(CN2C(C=CC2(C)C)(C)C)O)C
InChI
InChI=1S/C19H29NO2/c1-14-7-8-17(11-15(14)2)22-13-16(21)12-20-18(3,4)9-10-19(20,5)6/h7-11,16,21H,12-13H2,1-6H3
InChIKey
YZCRWEUVFINJJZ-UHFFFAOYSA-N
Compound name
1-(3,4-dimethylphenoxy)-3-(2,2,5,5-tetramethylpyrrol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

303.21982 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 173.3
[M+Na]+ 326.20904 184.9
[M+NH4]+ 321.25364 183.2
[M+K]+ 342.18298 176.6
[M-H]- 302.21254 175.7
[M+Na-2H]- 324.19449 181.1
[M]+ 303.21927 176.0
[M]- 303.22037 176.0
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

patents stripe