CID 393176

Nsc694630

Structural Information

Molecular Formula
C19H14N2O4S
SMILES
CC1=CC2=C(N=C1)S(=O)(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C19H14N2O4S/c1-13-11-17-18(20-12-13)26(23,24)21(19(17)22)14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-12H,1H3
InChIKey
PBPURYZVOPKVSY-UHFFFAOYSA-N
Compound name
5-methyl-1,1-dioxo-2-(4-phenoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07468 183.3
[M+Na]+ 389.05662 195.5
[M-H]- 365.06012 192.8
[M+NH4]+ 384.10122 198.4
[M+K]+ 405.03056 189.7
[M+H-H2O]+ 349.06466 174.6
[M+HCOO]- 411.06560 200.3
[M+CH3COO]- 425.08125 195.1
[M+Na-2H]- 387.04207 185.8
[M]+ 366.06685 189.0
[M]- 366.06795 189.0
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

No patent data available for this compound.