CID 3072254

Brn 4874088

Structural Information

Molecular Formula
C11H10N6S
SMILES
C1=CC=C(C=C1)NC2=NC3=C(C=NN3)C(=S)N2N
InChI
InChI=1S/C11H10N6S/c12-17-10(18)8-6-13-16-9(8)15-11(17)14-7-4-2-1-3-5-7/h1-6H,12H2,(H2,13,14,15,16)
InChIKey
UACHFHYFXFEPHX-UHFFFAOYSA-N
Compound name
5-amino-6-anilino-1H-pyrazolo[3,4-d]pyrimidine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.06876 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07604 152.9
[M+Na]+ 281.05798 165.3
[M-H]- 257.06148 155.4
[M+NH4]+ 276.10258 167.0
[M+K]+ 297.03192 157.5
[M+H-H2O]+ 241.06602 144.8
[M+HCOO]- 303.06696 170.4
[M+CH3COO]- 317.08261 164.7
[M+Na-2H]- 279.04343 158.9
[M]+ 258.06821 153.1
[M]- 258.06931 153.1
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.