CID 3056216

Methanone, phenyl(4-((2-(1-piperazinyl)-4-thiazolyl)methyl)phenyl)-, hydrochloride, hydrate (2:4:1)

Structural Information

Molecular Formula
C21H21N3OS
SMILES
C1CN(CCN1)C2=NC(=CS2)CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H21N3OS/c25-20(17-4-2-1-3-5-17)18-8-6-16(7-9-18)14-19-15-26-21(23-19)24-12-10-22-11-13-24/h1-9,15,22H,10-14H2
InChIKey
CNIPGZWUTVSKPR-UHFFFAOYSA-N
Compound name
phenyl-[4-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

363.14053 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.14781 184.2
[M+Na]+ 386.12975 198.2
[M+NH4]+ 381.17435 192.1
[M+K]+ 402.10369 189.7
[M-H]- 362.13325 190.6
[M+Na-2H]- 384.11520 194.1
[M]+ 363.13998 188.5
[M]- 363.14108 188.5
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