CID 267803

19270-40-7

Structural Information

Molecular Formula
C17H18N6O4S
SMILES
CCOC(=O)NC1=NC2=NC=CN=C2C(=C1)NCC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C17H18N6O4S/c1-2-27-17(24)23-14-9-13(15-16(22-14)20-8-7-19-15)21-10-11-3-5-12(6-4-11)28(18,25)26/h3-9H,2,10H2,1H3,(H2,18,25,26)(H2,20,21,22,23,24)
InChIKey
IOPPEPXCIKHQMN-UHFFFAOYSA-N
Compound name
ethyl N-[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

402.11102 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.11830 189.6
[M+Na]+ 425.10024 196.5
[M-H]- 401.10374 192.9
[M+NH4]+ 420.14484 196.4
[M+K]+ 441.07418 191.1
[M+H-H2O]+ 385.10828 179.6
[M+HCOO]- 447.10922 204.7
[M+CH3COO]- 461.12487 225.3
[M+Na-2H]- 423.08569 196.9
[M]+ 402.11047 192.3
[M]- 402.11157 192.3
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