CID 3064167

N-(4-sec-butyl-alpha-hydroxyphenethyl)imidazole hydrochloride

Structural Information

Molecular Formula
C15H20N2O
SMILES
CCC(C)C1=CC=C(C=C1)C(CN2C=CN=C2)O
InChI
InChI=1S/C15H20N2O/c1-3-12(2)13-4-6-14(7-5-13)15(18)10-17-9-8-16-11-17/h4-9,11-12,15,18H,3,10H2,1-2H3
InChIKey
QVEXUODERTZIDY-UHFFFAOYSA-N
Compound name
1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.15756 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 158.8
[M+Na]+ 267.146778 164.7
[M-H]- 243.150284 161.2
[M+NH4]+ 262.191383 174.4
[M+K]+ 283.120718 161.2
[M+H-H2O]+ 227.154820 150.3
[M+HCOO]- 289.155761 177.7
[M+CH3COO]- 303.171411 192.5
[M+Na-2H]- 265.132226 160.2
[M]+ 244.15701142 158.7
[M]- 244.15810858 158.7
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.