CID 584447

Chembl386941

Structural Information

Molecular Formula
C14H15N3S
SMILES
C1CCC(=NNC2=NC(=CS2)C3=CC=CC=C3)C1
InChI
InChI=1S/C14H15N3S/c1-2-6-11(7-3-1)13-10-18-14(15-13)17-16-12-8-4-5-9-12/h1-3,6-7,10H,4-5,8-9H2,(H,15,17)
InChIKey
WUSIIHCESPBBHG-UHFFFAOYSA-N
Compound name
N-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

257.09866 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10594 156.5
[M+Na]+ 280.08788 163.4
[M-H]- 256.09138 166.6
[M+NH4]+ 275.13248 176.1
[M+K]+ 296.06182 159.3
[M+H-H2O]+ 240.09592 148.4
[M+HCOO]- 302.09686 178.8
[M+CH3COO]- 316.11251 169.1
[M+Na-2H]- 278.07333 157.7
[M]+ 257.09811 155.3
[M]- 257.09921 155.3
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

patents stripe