CID 376847

Nsc657966

Structural Information

Molecular Formula
C19H15ClN4O2S
SMILES
CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3O)C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H15ClN4O2S/c1-10-15-16(13-4-2-3-5-14(13)25)27-19(21)22-17(15)24(23-10)18(26)11-6-8-12(20)9-7-11/h2-9,16,25H,1H3,(H2,21,22)
InChIKey
QMUKUOKRJOJRAA-UHFFFAOYSA-N
Compound name
[6-amino-4-(2-hydroxyphenyl)-3-methyl-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.06042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.06770 191.2
[M+Na]+ 421.04964 202.1
[M-H]- 397.05314 197.5
[M+NH4]+ 416.09424 201.8
[M+K]+ 437.02358 193.9
[M+H-H2O]+ 381.05768 182.9
[M+HCOO]- 443.05862 199.4
[M+CH3COO]- 457.07427 200.5
[M+Na-2H]- 419.03509 189.7
[M]+ 398.05987 194.4
[M]- 398.06097 194.4
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.