CID 39869190

2411261-65-7

Structural Information

Molecular Formula
C10H8N4S
SMILES
C1=CC2=C(NC=C2C3=CSC(=N3)N)N=C1
InChI
InChI=1S/C10H8N4S/c11-10-14-8(5-15-10)7-4-13-9-6(7)2-1-3-12-9/h1-5H,(H2,11,14)(H,12,13)
InChIKey
KICXBMZWAWIRER-UHFFFAOYSA-N
Compound name
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

216.04697 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.05425 142.0
[M+Na]+ 239.03619 154.7
[M-H]- 215.03969 146.2
[M+NH4]+ 234.08079 161.4
[M+K]+ 255.01013 149.2
[M+H-H2O]+ 199.04423 135.4
[M+HCOO]- 261.04517 161.2
[M+CH3COO]- 275.06082 155.7
[M+Na-2H]- 237.02164 145.5
[M]+ 216.04642 143.6
[M]- 216.04752 143.6
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