CID 376861

Nsc657980

Structural Information

Molecular Formula
C18H15N5O2S
SMILES
CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3O)C(=O)C4=CC=NC=C4
InChI
InChI=1S/C18H15N5O2S/c1-10-14-15(12-4-2-3-5-13(12)24)26-18(19)21-16(14)23(22-10)17(25)11-6-8-20-9-7-11/h2-9,15,24H,1H3,(H2,19,21)
InChIKey
WEFZPWLBUZACTA-UHFFFAOYSA-N
Compound name
[6-amino-4-(2-hydroxyphenyl)-3-methyl-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-pyridin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.09464 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10192 184.5
[M+Na]+ 388.08386 194.7
[M-H]- 364.08736 189.6
[M+NH4]+ 383.12846 194.0
[M+K]+ 404.05780 187.3
[M+H-H2O]+ 348.09190 175.3
[M+HCOO]- 410.09284 196.5
[M+CH3COO]- 424.10849 193.7
[M+Na-2H]- 386.06931 184.7
[M]+ 365.09409 185.3
[M]- 365.09519 185.3
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

No patent data available for this compound.