CID 376467

Nsc657381

Structural Information

Molecular Formula
C24H20N4O2S
SMILES
CC1=NN(C2=C1C(SC(=N2)N)C3=C(C4=CC=CC=C4C=C3)O)C(=O)CC5=CC=CC=C5
InChI
InChI=1S/C24H20N4O2S/c1-14-20-22(18-12-11-16-9-5-6-10-17(16)21(18)30)31-24(25)26-23(20)28(27-14)19(29)13-15-7-3-2-4-8-15/h2-12,22,30H,13H2,1H3,(H2,25,26)
InChIKey
VRZRQCHRPCGIAL-UHFFFAOYSA-N
Compound name
1-[6-amino-4-(1-hydroxynaphthalen-2-yl)-3-methyl-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.1307 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.13798 201.8
[M+Na]+ 451.11992 212.0
[M-H]- 427.12342 208.8
[M+NH4]+ 446.16452 210.9
[M+K]+ 467.09386 203.5
[M+H-H2O]+ 411.12796 192.2
[M+HCOO]- 473.12890 213.9
[M+CH3COO]- 487.14455 210.3
[M+Na-2H]- 449.10537 202.4
[M]+ 428.13015 204.5
[M]- 428.13125 204.5
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.