CID 376846

Nsc657965

Structural Information

Molecular Formula
C19H15ClN4OS
SMILES
CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H15ClN4OS/c1-11-15-16(12-5-3-2-4-6-12)26-19(21)22-17(15)24(23-11)18(25)13-7-9-14(20)10-8-13/h2-10,16H,1H3,(H2,21,22)
InChIKey
JQSQKJKBVGSOGK-UHFFFAOYSA-N
Compound name
(6-amino-3-methyl-4-phenyl-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

382.06552 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.07280 188.3
[M+Na]+ 405.05474 199.2
[M-H]- 381.05824 195.5
[M+NH4]+ 400.09934 200.1
[M+K]+ 421.02868 191.0
[M+H-H2O]+ 365.06278 179.4
[M+HCOO]- 427.06372 197.8
[M+CH3COO]- 441.07937 198.2
[M+Na-2H]- 403.04019 187.5
[M]+ 382.06497 191.4
[M]- 382.06607 191.4
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.