CID 505754

Schembl6766065

Structural Information

Molecular Formula
C15H16N6OS
SMILES
CN(C)C(=O)C1=CN=C(N=C1NC2=CC3=C(C=C2)C=NN3)SC
InChI
InChI=1S/C15H16N6OS/c1-21(2)14(22)11-8-16-15(23-3)19-13(11)18-10-5-4-9-7-17-20-12(9)6-10/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
InChIKey
FJUVWQLKGCCXPS-UHFFFAOYSA-N
Compound name
4-(1H-indazol-6-ylamino)-N,N-dimethyl-2-methylsulfanylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

328.11063 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11791 173.8
[M+Na]+ 351.09985 183.7
[M-H]- 327.10335 177.7
[M+NH4]+ 346.14445 185.7
[M+K]+ 367.07379 178.1
[M+H-H2O]+ 311.10789 164.7
[M+HCOO]- 373.10883 190.2
[M+CH3COO]- 387.12448 184.3
[M+Na-2H]- 349.08530 177.4
[M]+ 328.11008 178.1
[M]- 328.11118 178.1
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.