CID 475890

Schembl7854175

Structural Information

Molecular Formula
C22H26N2O
SMILES
CC1=NC(=C(N1COCC2=CC=CC=C2)CC3=CC=CC=C3)C(C)C
InChI
InChI=1S/C22H26N2O/c1-17(2)22-21(14-19-10-6-4-7-11-19)24(18(3)23-22)16-25-15-20-12-8-5-9-13-20/h4-13,17H,14-16H2,1-3H3
InChIKey
RISQETWIWXDBSI-UHFFFAOYSA-N
Compound name
5-benzyl-2-methyl-1-(phenylmethoxymethyl)-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

334.2045 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21178 183.7
[M+Na]+ 357.19372 190.3
[M-H]- 333.19722 190.6
[M+NH4]+ 352.23832 196.3
[M+K]+ 373.16766 184.7
[M+H-H2O]+ 317.20176 173.1
[M+HCOO]- 379.20270 203.9
[M+CH3COO]- 393.21835 213.1
[M+Na-2H]- 355.17917 183.6
[M]+ 334.20395 186.5
[M]- 334.20505 186.5
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

patents stripe