CID 3057035

1-imidazoleethanol, alpha-(2,3,5,6-tetramethylphenyl)-

Structural Information

Molecular Formula
C15H20N2O
SMILES
CC1=CC(=C(C(=C1C)C(CN2C=CN=C2)O)C)C
InChI
InChI=1S/C15H20N2O/c1-10-7-11(2)13(4)15(12(10)3)14(18)8-17-6-5-16-9-17/h5-7,9,14,18H,8H2,1-4H3
InChIKey
VWMWTDOGXDTITE-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 157.8
[M+Na]+ 267.146778 167.0
[M-H]- 243.150284 161.5
[M+NH4]+ 262.191383 174.5
[M+K]+ 283.120718 162.9
[M+H-H2O]+ 227.154820 150.2
[M+HCOO]- 289.155761 177.8
[M+CH3COO]- 303.171411 195.2
[M+Na-2H]- 265.132226 158.3
[M]+ 244.15701142 159.7
[M]- 244.15810858 159.7
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.