CID 505767

Schembl6769445

Structural Information

Molecular Formula
C19H20N8OS
SMILES
CSC1=NC=C(C(=N1)NC2=CC3=C(C=C2)NN=C3)C(=O)NCCCN4C=CN=C4
InChI
InChI=1S/C19H20N8OS/c1-29-19-22-11-15(18(28)21-5-2-7-27-8-6-20-12-27)17(25-19)24-14-3-4-16-13(9-14)10-23-26-16/h3-4,6,8-12H,2,5,7H2,1H3,(H,21,28)(H,23,26)(H,22,24,25)
InChIKey
IEIUYOSAGBXSDB-UHFFFAOYSA-N
Compound name
N-(3-imidazol-1-ylpropyl)-4-(1H-indazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

408.14807 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.15535 189.5
[M+Na]+ 431.13729 198.9
[M-H]- 407.14079 193.4
[M+NH4]+ 426.18189 196.4
[M+K]+ 447.11123 191.0
[M+H-H2O]+ 391.14533 179.5
[M+HCOO]- 453.14627 204.1
[M+CH3COO]- 467.16192 197.9
[M+Na-2H]- 429.12274 191.7
[M]+ 408.14752 193.5
[M]- 408.14862 193.5
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.