CID 5923387

Nsc657380

Structural Information

Molecular Formula
C28H24N4OS
SMILES
CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)/C=C/C4=CC=CC=C4)C(=O)CC5=CC=CC=C5
InChI
InChI=1S/C28H24N4OS/c1-19-25-26(23-16-14-21(15-17-23)13-12-20-8-4-2-5-9-20)34-28(29)30-27(25)32(31-19)24(33)18-22-10-6-3-7-11-22/h2-17,26H,18H2,1H3,(H2,29,30)/b13-12+
InChIKey
WCEDXYBMEYAOQK-OUKQBFOZSA-N
Compound name
1-[6-amino-3-methyl-4-[4-[(E)-2-phenylethenyl]phenyl]-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

464.16708 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.17436 214.5
[M+Na]+ 487.15630 222.3
[M-H]- 463.15980 223.8
[M+NH4]+ 482.20090 221.2
[M+K]+ 503.13024 212.4
[M+H-H2O]+ 447.16434 203.0
[M+HCOO]- 509.16528 227.0
[M+CH3COO]- 523.18093 221.7
[M+Na-2H]- 485.14175 212.2
[M]+ 464.16653 214.7
[M]- 464.16763 214.7
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.