CID 268243

21271-93-2

Structural Information

Molecular Formula
C19H22N6O4S
SMILES
CCOC(=O)NC1=NC2=NC(=CN=C2C(=C1)NCCC3=CC=C(C=C3)S(=O)(=O)N)C
InChI
InChI=1S/C19H22N6O4S/c1-3-29-19(26)25-16-10-15(17-18(24-16)23-12(2)11-22-17)21-9-8-13-4-6-14(7-5-13)30(20,27)28/h4-7,10-11H,3,8-9H2,1-2H3,(H2,20,27,28)(H2,21,23,24,25,26)
InChIKey
PEPYZZRSMZCGKY-UHFFFAOYSA-N
Compound name
ethyl N-[3-methyl-8-[2-(4-sulfamoylphenyl)ethylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

430.14233 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.14961 199.3
[M+Na]+ 453.13155 206.1
[M-H]- 429.13505 202.6
[M+NH4]+ 448.17615 205.2
[M+K]+ 469.10549 200.4
[M+H-H2O]+ 413.13959 189.1
[M+HCOO]- 475.14053 213.7
[M+CH3COO]- 489.15618 232.5
[M+Na-2H]- 451.11700 204.9
[M]+ 430.14178 203.1
[M]- 430.14288 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.