CID 3050527

Brn 1274389

Structural Information

Molecular Formula
C26H34N4O2S
SMILES
C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)NC(=O)CN4CCCCC4
InChI
InChI=1S/C26H34N4O2S/c31-25(19-29-15-3-1-4-16-29)27-21-7-11-23(12-8-21)33-24-13-9-22(10-14-24)28-26(32)20-30-17-5-2-6-18-30/h7-14H,1-6,15-20H2,(H,27,31)(H,28,32)
InChIKey
LSXFFXNNINZPKJ-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-N-[4-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.24023 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.24751 208.7
[M+Na]+ 489.22945 206.6
[M-H]- 465.23295 215.0
[M+NH4]+ 484.27405 212.2
[M+K]+ 505.20339 200.1
[M+H-H2O]+ 449.23749 196.3
[M+HCOO]- 511.23843 216.4
[M+CH3COO]- 525.25408 212.5
[M+Na-2H]- 487.21490 206.4
[M]+ 466.23968 200.9
[M]- 466.24078 200.9
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.