CID 131436

Ym-264

Structural Information

Molecular Formula
C24H32N4OS
SMILES
CC(C)(CCN1CCN(CC1)C(=O)C2CSC(N2)C3=CN=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H32N4OS/c1-24(2,20-8-4-3-5-9-20)10-12-27-13-15-28(16-14-27)23(29)21-18-30-22(26-21)19-7-6-11-25-17-19/h3-9,11,17,21-22,26H,10,12-16,18H2,1-2H3
InChIKey
HEXKEOJEDCYAPX-UHFFFAOYSA-N
Compound name
[4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

5
Patents

424.22968 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.23696 203.8
[M+Na]+ 447.21890 205.9
[M-H]- 423.22240 208.2
[M+NH4]+ 442.26350 209.0
[M+K]+ 463.19284 198.7
[M+H-H2O]+ 407.22694 192.6
[M+HCOO]- 469.22788 207.7
[M+CH3COO]- 483.24353 208.8
[M+Na-2H]- 445.20435 199.4
[M]+ 424.22913 197.8
[M]- 424.23023 197.8
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