CID 376860

Nsc657979

Structural Information

Molecular Formula
C18H15N5OS
SMILES
CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3)C(=O)C4=CC=NC=C4
InChI
InChI=1S/C18H15N5OS/c1-11-14-15(12-5-3-2-4-6-12)25-18(19)21-16(14)23(22-11)17(24)13-7-9-20-10-8-13/h2-10,15H,1H3,(H2,19,21)
InChIKey
AZKCMFSDGDJYPP-UHFFFAOYSA-N
Compound name
(6-amino-3-methyl-4-phenyl-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

349.09973 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10701 181.0
[M+Na]+ 372.08895 191.1
[M-H]- 348.09245 187.0
[M+NH4]+ 367.13355 191.7
[M+K]+ 388.06289 183.8
[M+H-H2O]+ 332.09699 171.2
[M+HCOO]- 394.09793 194.4
[M+CH3COO]- 408.11358 190.8
[M+Na-2H]- 370.07440 181.9
[M]+ 349.09918 181.7
[M]- 349.10028 181.7
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.