CID 56841552

Rabeximod

Structural Information

Molecular Formula
C22H24ClN5O
SMILES
CC1=CC2=C(C=C1C)N=C3C(=N2)C4=C(N3CC(=O)NCCN(C)C)C=CC(=C4)Cl
InChI
InChI=1S/C22H24ClN5O/c1-13-9-17-18(10-14(13)2)26-22-21(25-17)16-11-15(23)5-6-19(16)28(22)12-20(29)24-7-8-27(3)4/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,29)
InChIKey
PDNNUMNEXITLCZ-UHFFFAOYSA-N
Compound name
2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)-N-[2-(dimethylamino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

173
Patents

409.16693 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17421 199.3
[M+Na]+ 432.15615 215.5
[M+NH4]+ 427.20075 207.0
[M+K]+ 448.13009 208.0
[M-H]- 408.15965 203.1
[M+Na-2H]- 430.14160 204.6
[M]+ 409.16638 203.1
[M]- 409.16748 203.1
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