CID 376849

Nsc657968

Structural Information

Molecular Formula
C19H14Cl2N4OS
SMILES
CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H14Cl2N4OS/c1-10-15-16(11-2-6-13(20)7-3-11)27-19(22)23-17(15)25(24-10)18(26)12-4-8-14(21)9-5-12/h2-9,16H,1H3,(H2,22,23)
InChIKey
USKWMDLUGKCETH-UHFFFAOYSA-N
Compound name
[6-amino-4-(4-chlorophenyl)-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

416.02655 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.03383 194.1
[M+Na]+ 439.01577 205.8
[M-H]- 415.01927 200.8
[M+NH4]+ 434.06037 205.2
[M+K]+ 454.98971 197.2
[M+H-H2O]+ 399.02381 185.7
[M+HCOO]- 461.02475 198.5
[M+CH3COO]- 475.04040 203.4
[M+Na-2H]- 437.00122 191.8
[M]+ 416.02600 198.7
[M]- 416.02710 198.7
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.