CID 54683485

Schembl4330717

Structural Information

Molecular Formula
C16H14ClN3O5S
SMILES
CS(=O)(=O)NC1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H14ClN3O5S/c1-26(24,25)18-12-9-19-5-6-20(8-10-3-2-4-11(17)7-10)16(23)13(19)15(22)14(12)21/h2-7,9,18,22H,8H2,1H3
InChIKey
UQCOBENFCMLOTD-UHFFFAOYSA-N
Compound name
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

395.03427 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.04155 185.6
[M+Na]+ 418.02349 197.6
[M-H]- 394.02699 190.7
[M+NH4]+ 413.06809 196.0
[M+K]+ 433.99743 190.8
[M+H-H2O]+ 378.03153 178.1
[M+HCOO]- 440.03247 196.1
[M+CH3COO]- 454.04812 216.9
[M+Na-2H]- 416.00894 190.4
[M]+ 395.03372 193.0
[M]- 395.03482 193.0
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