CID 376862

Nsc657981

Structural Information

Molecular Formula
C19H17N5O2S
SMILES
CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)OC)C(=O)C4=CC=NC=C4
InChI
InChI=1S/C19H17N5O2S/c1-11-15-16(12-3-5-14(26-2)6-4-12)27-19(20)22-17(15)24(23-11)18(25)13-7-9-21-10-8-13/h3-10,16H,1-2H3,(H2,20,22)
InChIKey
CAEXPSIRBPHCSI-UHFFFAOYSA-N
Compound name
[6-amino-4-(4-methoxyphenyl)-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

379.1103 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.11758 189.2
[M+Na]+ 402.09952 199.3
[M-H]- 378.10302 195.4
[M+NH4]+ 397.14412 198.7
[M+K]+ 418.07346 192.5
[M+H-H2O]+ 362.10756 179.3
[M+HCOO]- 424.10850 202.3
[M+CH3COO]- 438.12415 198.6
[M+Na-2H]- 400.08497 189.1
[M]+ 379.10975 191.9
[M]- 379.11085 191.9
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.