CID 962388

5,6-dimethyl-1-{[4-(propan-2-yl)phenyl]methyl}-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C19H22N2
SMILES
CC1=CC2=C(C=C1C)N(C=N2)CC3=CC=C(C=C3)C(C)C
InChI
InChI=1S/C19H22N2/c1-13(2)17-7-5-16(6-8-17)11-21-12-20-18-9-14(3)15(4)10-19(18)21/h5-10,12-13H,11H2,1-4H3
InChIKey
FUISTPWDJJENSI-UHFFFAOYSA-N
Compound name
5,6-dimethyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.17828 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 167.6
[M+Na]+ 301.16750 184.2
[M+NH4]+ 296.21210 176.8
[M+K]+ 317.14144 176.9
[M-H]- 277.17100 172.4
[M+Na-2H]- 299.15295 176.2
[M]+ 278.17773 171.6
[M]- 278.17883 171.6
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.