CID 9967941

Sb-525334

Structural Information

Molecular Formula
C21H21N5
SMILES
CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=NC=CN=C4C=C3
InChI
InChI=1S/C21H21N5/c1-13-6-5-7-16(24-13)19-18(25-20(26-19)21(2,3)4)14-8-9-15-17(12-14)23-11-10-22-15/h5-12H,1-4H3,(H,25,26)
InChIKey
DKPQHFZUICCZHF-UHFFFAOYSA-N
Compound name
6-[2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

66
References

664
Patents

343.1797 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18698 189.2
[M+Na]+ 366.16892 200.1
[M-H]- 342.17242 193.2
[M+NH4]+ 361.21352 198.0
[M+K]+ 382.14286 191.2
[M+H-H2O]+ 326.17696 177.7
[M+HCOO]- 388.17790 204.1
[M+CH3COO]- 402.19355 198.4
[M+Na-2H]- 364.15437 193.9
[M]+ 343.17915 190.4
[M]- 343.18025 190.4
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