CID 117696

6-chloro-1,3-diphenyl-2-methylimidazo(4,5-b)quinoxalinium, 4-methylbenzenesulfonic acid salt

Structural Information

Molecular Formula
C22H17ClN4
SMILES
CC1N(C2=NC3=C(C=C(C=C3)Cl)N=C2N1C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C22H17ClN4/c1-15-26(17-8-4-2-5-9-17)21-22(27(15)18-10-6-3-7-11-18)25-20-14-16(23)12-13-19(20)24-21/h2-15H,1H3
InChIKey
VGGQEZVDOZGZGD-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.11417 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12145 191.8
[M+Na]+ 395.10339 202.8
[M-H]- 371.10689 197.8
[M+NH4]+ 390.14799 202.6
[M+K]+ 411.07733 193.0
[M+H-H2O]+ 355.11143 178.9
[M+HCOO]- 417.11237 202.8
[M+CH3COO]- 431.12802 200.9
[M+Na-2H]- 393.08884 194.6
[M]+ 372.11362 193.4
[M]- 372.11472 193.4
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.