CID 376455

Nsc657369

Structural Information

Molecular Formula
C20H18N4OS
SMILES
CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4
InChI
InChI=1S/C20H18N4OS/c1-13-17-18(15-10-6-3-7-11-15)26-20(21)22-19(17)24(23-13)16(25)12-14-8-4-2-5-9-14/h2-11,18H,12H2,1H3,(H2,21,22)
InChIKey
LWSAWOCJQJKXEL-UHFFFAOYSA-N
Compound name
1-(6-amino-3-methyl-4-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

362.12012 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12740 185.4
[M+Na]+ 385.10934 194.5
[M-H]- 361.11284 192.3
[M+NH4]+ 380.15394 196.9
[M+K]+ 401.08328 187.1
[M+H-H2O]+ 345.11738 175.8
[M+HCOO]- 407.11832 199.4
[M+CH3COO]- 421.13397 195.0
[M+Na-2H]- 383.09479 185.4
[M]+ 362.11957 186.2
[M]- 362.12067 186.2
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.