CID 71542350

Tj-m2010-5

Structural Information

Molecular Formula
C23H26N4OS
SMILES
C1CN(CCN1CCC(=O)NC2=NC(=CS2)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C23H26N4OS/c28-22(25-23-24-21(18-29-23)20-9-5-2-6-10-20)11-12-26-13-15-27(16-14-26)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2,(H,24,25,28)
InChIKey
DTIQJBUDKQVBLT-UHFFFAOYSA-N
Compound name
3-(4-benzylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

18
Patents

406.18274 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.190016 195.7
[M+Na]+ 429.171958 199.6
[M-H]- 405.175464 203.3
[M+NH4]+ 424.216563 203.4
[M+K]+ 445.145898 192.3
[M+H-H2O]+ 389.180000 184.1
[M+HCOO]- 451.180941 208.1
[M+CH3COO]- 465.196591 202.9
[M+Na-2H]- 427.157406 194.1
[M]+ 406.18219142 193.3
[M]- 406.18328858 193.3
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.