CID 5277356

4-[[(6-amino-2,3-diphenyl-pyrido[2,3-b]pyrazin-8-yl)amino]methyl]-n-ethyl-benzenesulfonamide

Structural Information

Molecular Formula
C28H26N6O2S
SMILES
CCNS(=O)(=O)C1=CC=C(C=C1)CNC2=CC(=NC3=C2N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5)N
InChI
InChI=1S/C28H26N6O2S/c1-2-31-37(35,36)22-15-13-19(14-16-22)18-30-23-17-24(29)32-28-27(23)33-25(20-9-5-3-6-10-20)26(34-28)21-11-7-4-8-12-21/h3-17,31H,2,18H2,1H3,(H3,29,30,32,34)
InChIKey
BZDVTDUZSBKVEB-UHFFFAOYSA-N
Compound name
4-[[(6-amino-2,3-diphenylpyrido[2,3-b]pyrazin-8-yl)amino]methyl]-N-ethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.1838 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.19108 220.1
[M+Na]+ 533.17302 226.8
[M-H]- 509.17652 228.8
[M+NH4]+ 528.21762 221.9
[M+K]+ 549.14696 217.3
[M+H-H2O]+ 493.18106 207.2
[M+HCOO]- 555.18200 234.2
[M+CH3COO]- 569.19765 226.0
[M+Na-2H]- 531.15847 226.8
[M]+ 510.18325 220.5
[M]- 510.18435 220.6
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.