CID 267797

21271-91-0

Structural Information

Molecular Formula
C18H20N6O4S
SMILES
CCOC(=O)NC1=NC2=NC=CN=C2C(=C1)NCCC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C18H20N6O4S/c1-2-28-18(25)24-15-11-14(16-17(23-15)22-10-9-21-16)20-8-7-12-3-5-13(6-4-12)29(19,26)27/h3-6,9-11H,2,7-8H2,1H3,(H2,19,26,27)(H2,20,22,23,24,25)
InChIKey
BBXQGXUMAHWEDU-UHFFFAOYSA-N
Compound name
ethyl N-[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

1
Patents

416.12668 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.13396 193.6
[M+Na]+ 439.11590 200.0
[M-H]- 415.11940 196.7
[M+NH4]+ 434.16050 199.8
[M+K]+ 455.08984 194.5
[M+H-H2O]+ 399.12394 183.4
[M+HCOO]- 461.12488 208.4
[M+CH3COO]- 475.14053 228.2
[M+Na-2H]- 437.10135 200.5
[M]+ 416.12613 196.6
[M]- 416.12723 196.6
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

patents stripe