CID 505746

Schembl6608523

Structural Information

Molecular Formula
C15H16N6O2S
SMILES
CSC1=NC=C(C(=N1)NC2=CC3=C(C=C2)C=NN3)C(=O)NCCO
InChI
InChI=1S/C15H16N6O2S/c1-24-15-17-8-11(14(23)16-4-5-22)13(20-15)19-10-3-2-9-7-18-21-12(9)6-10/h2-3,6-8,22H,4-5H2,1H3,(H,16,23)(H,18,21)(H,17,19,20)
InChIKey
MVCVFABXKBJEGA-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

344.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11281 174.6
[M+Na]+ 367.09475 183.6
[M-H]- 343.09825 175.7
[M+NH4]+ 362.13935 184.3
[M+K]+ 383.06869 176.5
[M+H-H2O]+ 327.10279 165.9
[M+HCOO]- 389.10373 189.3
[M+CH3COO]- 403.11938 183.7
[M+Na-2H]- 365.08020 178.9
[M]+ 344.10498 177.2
[M]- 344.10608 177.2
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