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 171.2
[M+Na]+ 326.20904 179.5
[M-H]- 302.21254 175.9
[M+NH4]+ 321.25364 190.9
[M+K]+ 342.18298 176.0
[M+H-H2O]+ 286.21708 165.5
[M+HCOO]- 348.21802 190.1
[M+CH3COO]- 362.23367 206.0
[M+Na-2H]- 324.19449 171.7
[M]+ 303.21927 174.8
[M]- 303.22037 174.8
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