CID 376878

Nsc657998

Structural Information

Molecular Formula
C17H14N4O3S
SMILES
CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CO3)C(=O)C4=CC=CC=C4O
InChI
InChI=1S/C17H14N4O3S/c1-9-13-14(12-7-4-8-24-12)25-17(18)19-15(13)21(20-9)16(23)10-5-2-3-6-11(10)22/h2-8,14,22H,1H3,(H2,18,19)
InChIKey
LUVYBEJIZQWAIG-UHFFFAOYSA-N
Compound name
[6-amino-4-(furan-2-yl)-3-methyl-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-(2-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.07867 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08595 180.2
[M+Na]+ 377.06789 191.8
[M-H]- 353.07139 188.5
[M+NH4]+ 372.11249 192.4
[M+K]+ 393.04183 187.1
[M+H-H2O]+ 337.07593 173.1
[M+HCOO]- 399.07687 195.7
[M+CH3COO]- 413.09252 191.5
[M+Na-2H]- 375.05334 179.2
[M]+ 354.07812 184.7
[M]- 354.07922 184.7
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.