CID 53628

77234-91-4

Structural Information

Molecular Formula
C20H22N2O
SMILES
CC(C1=C(C=CC(=C1)CCC2=CC=CC=C2)CO)N3C=CN=C3
InChI
InChI=1S/C20H22N2O/c1-16(22-12-11-21-15-22)20-13-18(9-10-19(20)14-23)8-7-17-5-3-2-4-6-17/h2-6,9-13,15-16,23H,7-8,14H2,1H3
InChIKey
WHGZOHDSVKLMAN-UHFFFAOYSA-N
Compound name
[2-(1-imidazol-1-ylethyl)-4-(2-phenylethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 174.5
[M+Na]+ 329.16244 180.7
[M-H]- 305.16594 180.1
[M+NH4]+ 324.20704 187.3
[M+K]+ 345.13638 174.7
[M+H-H2O]+ 289.17048 164.5
[M+HCOO]- 351.17142 194.0
[M+CH3COO]- 365.18707 184.6
[M+Na-2H]- 327.14789 176.0
[M]+ 306.17267 174.5
[M]- 306.17377 174.5
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.