CID 376870

Nsc657990

Structural Information

Molecular Formula
C19H16N4O3S
SMILES
CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3O)C(=O)C4=CC=CC=C4O
InChI
InChI=1S/C19H16N4O3S/c1-10-15-16(11-6-2-4-8-13(11)24)27-19(20)21-17(15)23(22-10)18(26)12-7-3-5-9-14(12)25/h2-9,16,24-25H,1H3,(H2,20,21)
InChIKey
UNSFDNVPARPKIO-UHFFFAOYSA-N
Compound name
[6-amino-4-(2-hydroxyphenyl)-3-methyl-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

380.0943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.10158 187.9
[M+Na]+ 403.08352 197.5
[M-H]- 379.08702 193.1
[M+NH4]+ 398.12812 197.5
[M+K]+ 419.05746 190.3
[M+H-H2O]+ 363.09156 179.5
[M+HCOO]- 425.09250 199.4
[M+CH3COO]- 439.10815 196.9
[M+Na-2H]- 401.06897 186.8
[M]+ 380.09375 188.6
[M]- 380.09485 188.6
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.