CID 3073990

154371-11-6

Structural Information

Molecular Formula
C16H10N4OS
SMILES
C1=CC=C(C=C1)NC2=NC(=O)C3=NC4=CC=CC=C4N=C3S2
InChI
InChI=1S/C16H10N4OS/c21-14-13-15(19-12-9-5-4-8-11(12)18-13)22-16(20-14)17-10-6-2-1-3-7-10/h1-9H,(H,17,20,21)
InChIKey
NXVCSULCYGSMRB-UHFFFAOYSA-N
Compound name
2-anilino-[1,3]thiazino[5,6-b]quinoxalin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.05753 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06481 165.0
[M+Na]+ 329.04675 177.2
[M-H]- 305.05025 170.3
[M+NH4]+ 324.09135 178.1
[M+K]+ 345.02069 169.4
[M+H-H2O]+ 289.05479 155.3
[M+HCOO]- 351.05573 182.0
[M+CH3COO]- 365.07138 176.5
[M+Na-2H]- 327.03220 175.4
[M]+ 306.05698 168.5
[M]- 306.05808 168.5
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.