CID 269591

21271-98-7

Structural Information

Molecular Formula
C23H30N6O4S
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCNC2=CC(=NC3=NC(=CN=C23)C)NC(=O)OCC
InChI
InChI=1S/C23H30N6O4S/c1-5-29(6-2)34(31,32)18-10-8-17(9-11-18)12-13-24-19-14-20(28-23(30)33-7-3)27-22-21(19)25-15-16(4)26-22/h8-11,14-15H,5-7,12-13H2,1-4H3,(H2,24,26,27,28,30)
InChIKey
NSDAGLHOSIXZAS-UHFFFAOYSA-N
Compound name
ethyl N-[8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]-3-methylpyrido[2,3-b]pyrazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

486.20493 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.21221 216.0
[M+Na]+ 509.19415 220.9
[M-H]- 485.19765 220.4
[M+NH4]+ 504.23875 220.4
[M+K]+ 525.16809 216.3
[M+H-H2O]+ 469.20219 204.8
[M+HCOO]- 531.20313 230.0
[M+CH3COO]- 545.21878 247.3
[M+Na-2H]- 507.17960 220.2
[M]+ 486.20438 223.2
[M]- 486.20548 223.2
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.