CID 3052908

Piperazine, 1-(4-(phenylmethyl)-2-thiazolyl)-

Structural Information

Molecular Formula
C14H17N3S
SMILES
C1CN(CCN1)C2=NC(=CS2)CC3=CC=CC=C3
InChI
InChI=1S/C14H17N3S/c1-2-4-12(5-3-1)10-13-11-18-14(16-13)17-8-6-15-7-9-17/h1-5,11,15H,6-10H2
InChIKey
YDONNCLFRLECFS-UHFFFAOYSA-N
Compound name
4-benzyl-2-piperazin-1-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

259.11432 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12160 157.8
[M+Na]+ 282.10354 164.2
[M-H]- 258.10704 161.7
[M+NH4]+ 277.14814 171.8
[M+K]+ 298.07748 158.4
[M+H-H2O]+ 242.11158 148.6
[M+HCOO]- 304.11252 170.0
[M+CH3COO]- 318.12817 167.8
[M+Na-2H]- 280.08899 158.2
[M]+ 259.11377 153.4
[M]- 259.11487 153.4
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