CID 63080619

1-[2-(1-phenylcyclopentyl)-1,3-thiazol-5-yl]ethan-1-one

Structural Information

Molecular Formula
C16H17NOS
SMILES
CC(=O)C1=CN=C(S1)C2(CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C16H17NOS/c1-12(18)14-11-17-15(19-14)16(9-5-6-10-16)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKey
TXUMHTWPEAIZSP-UHFFFAOYSA-N
Compound name
1-[2-(1-phenylcyclopentyl)-1,3-thiazol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1031 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11038 164.0
[M+Na]+ 294.09232 171.7
[M-H]- 270.09582 173.0
[M+NH4]+ 289.13692 184.9
[M+K]+ 310.06626 167.9
[M+H-H2O]+ 254.10036 157.3
[M+HCOO]- 316.10130 181.4
[M+CH3COO]- 330.11695 176.3
[M+Na-2H]- 292.07777 162.5
[M]+ 271.10255 164.2
[M]- 271.10365 164.2
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.