CID 505744

Schembl6610211

Structural Information

Molecular Formula
C16H16N6OS
SMILES
CSC1=NC=C(C(=N1)NC2=CC3=C(C=C2)C=NN3)C(=O)NC4CC4
InChI
InChI=1S/C16H16N6OS/c1-24-16-17-8-12(15(23)20-10-4-5-10)14(21-16)19-11-3-2-9-7-18-22-13(9)6-11/h2-3,6-8,10H,4-5H2,1H3,(H,18,22)(H,20,23)(H,17,19,21)
InChIKey
SLVQAORDIJOHAN-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

340.11063 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11791 176.6
[M+Na]+ 363.09985 187.6
[M-H]- 339.10335 182.0
[M+NH4]+ 358.14445 182.7
[M+K]+ 379.07379 178.6
[M+H-H2O]+ 323.10789 168.2
[M+HCOO]- 385.10883 193.2
[M+CH3COO]- 399.12448 186.0
[M+Na-2H]- 361.08530 180.4
[M]+ 340.11008 180.8
[M]- 340.11118 180.8
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