CID 376863

Nsc657982

Structural Information

Molecular Formula
C18H14ClN5OS
SMILES
CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)Cl)C(=O)C4=CC=NC=C4
InChI
InChI=1S/C18H14ClN5OS/c1-10-14-15(11-2-4-13(19)5-3-11)26-18(20)22-16(14)24(23-10)17(25)12-6-8-21-9-7-12/h2-9,15H,1H3,(H2,20,22)
InChIKey
FTVCYNWDCDFJME-UHFFFAOYSA-N
Compound name
[6-amino-4-(4-chlorophenyl)-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

383.06076 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.06804 187.7
[M+Na]+ 406.04998 199.0
[M-H]- 382.05348 193.7
[M+NH4]+ 401.09458 198.0
[M+K]+ 422.02392 190.8
[M+H-H2O]+ 366.05802 178.2
[M+HCOO]- 428.05896 196.2
[M+CH3COO]- 442.07461 197.2
[M+Na-2H]- 404.03543 187.3
[M]+ 383.06021 190.8
[M]- 383.06131 190.8
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.