CID 5247402

478980-04-0

Structural Information

Molecular Formula
C21H26N2
SMILES
CC1=CC(=C(C(=C1)C)N2CN(C=C2)C3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C21H26N2/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6/h7-12H,13H2,1-6H3
InChIKey
RSTLYZXJMXWXEI-UHFFFAOYSA-N
Compound name
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

7074
Patents

306.2096 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 176.2
[M+Na]+ 329.19882 186.7
[M-H]- 305.20232 184.5
[M+NH4]+ 324.24342 191.5
[M+K]+ 345.17276 180.4
[M+H-H2O]+ 289.20686 167.2
[M+HCOO]- 351.20780 196.3
[M+CH3COO]- 365.22345 188.2
[M+Na-2H]- 327.18427 174.1
[M]+ 306.20905 178.4
[M]- 306.21015 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe