CID 376868

Nsc657987

Structural Information

Molecular Formula
C19H17N5OS
SMILES
CC1=CC=C(C=C1)C2C3=C(N=C(S2)N)N(N=C3C)C(=O)C4=CC=NC=C4
InChI
InChI=1S/C19H17N5OS/c1-11-3-5-13(6-4-11)16-15-12(2)23-24(17(15)22-19(20)26-16)18(25)14-7-9-21-10-8-14/h3-10,16H,1-2H3,(H2,20,22)
InChIKey
SZTDKVJTFXOKQW-UHFFFAOYSA-N
Compound name
[6-amino-3-methyl-4-(4-methylphenyl)-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

363.1154 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12268 186.4
[M+Na]+ 386.10462 196.9
[M-H]- 362.10812 192.6
[M+NH4]+ 381.14922 196.8
[M+K]+ 402.07856 189.3
[M+H-H2O]+ 346.11266 176.6
[M+HCOO]- 408.11360 199.3
[M+CH3COO]- 422.12925 196.0
[M+Na-2H]- 384.09007 186.0
[M]+ 363.11485 187.8
[M]- 363.11595 187.8
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.