CID 505739

Schembl6771473

Structural Information

Molecular Formula
C13H12N6OS
SMILES
CSC1=NC=C(C(=N1)NC2=CC3=C(C=C2)NN=C3)C(=O)N
InChI
InChI=1S/C13H12N6OS/c1-21-13-15-6-9(11(14)20)12(18-13)17-8-2-3-10-7(4-8)5-16-19-10/h2-6H,1H3,(H2,14,20)(H,16,19)(H,15,17,18)
InChIKey
BYTQLGGOFSRJNS-UHFFFAOYSA-N
Compound name
4-(1H-indazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

300.0793 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08658 164.2
[M+Na]+ 323.06852 174.9
[M-H]- 299.07202 166.5
[M+NH4]+ 318.11312 176.3
[M+K]+ 339.04246 168.0
[M+H-H2O]+ 283.07656 155.8
[M+HCOO]- 345.07750 180.2
[M+CH3COO]- 359.09315 174.8
[M+Na-2H]- 321.05397 168.5
[M]+ 300.07875 165.8
[M]- 300.07985 165.8
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

patents stripe