CID 505741

Schembl6769085

Structural Information

Molecular Formula
C14H14N6OS
SMILES
CNC(=O)C1=CN=C(N=C1NC2=CC3=C(C=C2)NN=C3)SC
InChI
InChI=1S/C14H14N6OS/c1-15-13(21)10-7-16-14(22-2)19-12(10)18-9-3-4-11-8(5-9)6-17-20-11/h3-7H,1-2H3,(H,15,21)(H,17,20)(H,16,18,19)
InChIKey
NIPABWCZKRANFT-UHFFFAOYSA-N
Compound name
4-(1H-indazol-5-ylamino)-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

314.09497 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10225 168.7
[M+Na]+ 337.08419 179.0
[M-H]- 313.08769 171.3
[M+NH4]+ 332.12879 180.5
[M+K]+ 353.05813 172.2
[M+H-H2O]+ 297.09223 160.0
[M+HCOO]- 359.09317 185.0
[M+CH3COO]- 373.10882 179.1
[M+Na-2H]- 335.06964 173.4
[M]+ 314.09442 171.4
[M]- 314.09552 171.4
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.