CID 15956111

Chembl377074

Structural Information

Molecular Formula
C16H15N3OS
SMILES
C1CC=C(C1)COC2=C(C=CC(=C2)NC3=NC=CS3)C#N
InChI
InChI=1S/C16H15N3OS/c17-10-13-5-6-14(19-16-18-7-8-21-16)9-15(13)20-11-12-3-1-2-4-12/h3,5-9H,1-2,4,11H2,(H,18,19)
InChIKey
WMIDCNRWQMDITE-UHFFFAOYSA-N
Compound name
2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.0936 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10088 174.0
[M+Na]+ 320.08282 184.4
[M-H]- 296.08632 181.2
[M+NH4]+ 315.12742 189.7
[M+K]+ 336.05676 177.8
[M+H-H2O]+ 280.09086 159.3
[M+HCOO]- 342.09180 190.5
[M+CH3COO]- 356.10745 184.1
[M+Na-2H]- 318.06827 173.0
[M]+ 297.09305 170.6
[M]- 297.09415 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.