CID 376869

Nsc657989

Structural Information

Molecular Formula
C19H16N4O2S
SMILES
CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3)C(=O)C4=CC=CC=C4O
InChI
InChI=1S/C19H16N4O2S/c1-11-15-16(12-7-3-2-4-8-12)26-19(20)21-17(15)23(22-11)18(25)13-9-5-6-10-14(13)24/h2-10,16,24H,1H3,(H2,20,21)
InChIKey
BVSPERARIJIAHO-UHFFFAOYSA-N
Compound name
(6-amino-3-methyl-4-phenyl-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl)-(2-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.0994 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10668 184.6
[M+Na]+ 387.08862 194.2
[M-H]- 363.09212 190.8
[M+NH4]+ 382.13322 195.4
[M+K]+ 403.06256 187.0
[M+H-H2O]+ 347.09666 175.7
[M+HCOO]- 409.09760 197.6
[M+CH3COO]- 423.11325 194.1
[M+Na-2H]- 385.07407 184.3
[M]+ 364.09885 185.2
[M]- 364.09995 185.2
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.