CID 267795

21271-88-5

Structural Information

Molecular Formula
C18H20N6O4S
SMILES
CCOC(=O)NC1=NC2=NC(=CN=C2C(=C1)NCC3=CC=C(C=C3)S(=O)(=O)N)C
InChI
InChI=1S/C18H20N6O4S/c1-3-28-18(25)24-15-8-14(16-17(23-15)22-11(2)9-21-16)20-10-12-4-6-13(7-5-12)29(19,26)27/h4-9H,3,10H2,1-2H3,(H2,19,26,27)(H2,20,22,23,24,25)
InChIKey
LQJJEBLLSUQEKC-UHFFFAOYSA-N
Compound name
ethyl N-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

416.12668 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.13396 195.3
[M+Na]+ 439.11590 202.6
[M-H]- 415.11940 198.8
[M+NH4]+ 434.16050 201.8
[M+K]+ 455.08984 197.1
[M+H-H2O]+ 399.12394 185.3
[M+HCOO]- 461.12488 210.0
[M+CH3COO]- 475.14053 229.6
[M+Na-2H]- 437.10135 201.3
[M]+ 416.12613 198.8
[M]- 416.12723 198.8
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.