CID 505764

Schembl6771569

Structural Information

Molecular Formula
C19H17N7OS
SMILES
CSC1=NC=C(C(=N1)NC2=CC3=C(C=C2)C=NN3)C(=O)NCC4=CN=CC=C4
InChI
InChI=1S/C19H17N7OS/c1-28-19-22-11-15(18(27)21-9-12-3-2-6-20-8-12)17(25-19)24-14-5-4-13-10-23-26-16(13)7-14/h2-8,10-11H,9H2,1H3,(H,21,27)(H,23,26)(H,22,24,25)
InChIKey
YVZZQQKNPVJAJL-UHFFFAOYSA-N
Compound name
4-(1H-indazol-6-ylamino)-2-methylsulfanyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

391.12152 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.12880 186.5
[M+Na]+ 414.11074 195.9
[M-H]- 390.11424 190.6
[M+NH4]+ 409.15534 193.2
[M+K]+ 430.08468 187.0
[M+H-H2O]+ 374.11878 176.1
[M+HCOO]- 436.11972 201.1
[M+CH3COO]- 450.13537 195.0
[M+Na-2H]- 412.09619 191.8
[M]+ 391.12097 188.8
[M]- 391.12207 188.8
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

No patent data available for this compound.