CID 3078859

2,5-dimethyl-n-phenyl-1-(2-phenylethyl)-n-(thienylmethyl)-4-piperidinamine

Structural Information

Molecular Formula
C26H32N2S
SMILES
CC1CC(C(CN1CCC2=CC=CC=C2)C)N(CC3=CC=CS3)C4=CC=CC=C4
InChI
InChI=1S/C26H32N2S/c1-21-19-27(16-15-23-10-5-3-6-11-23)22(2)18-26(21)28(20-25-14-9-17-29-25)24-12-7-4-8-13-24/h3-14,17,21-22,26H,15-16,18-20H2,1-2H3
InChIKey
DBMPYEABZGBWCO-UHFFFAOYSA-N
Compound name
2,5-dimethyl-N-phenyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.2286 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.23588 200.2
[M+Na]+ 427.21782 203.8
[M-H]- 403.22132 211.5
[M+NH4]+ 422.26242 211.8
[M+K]+ 443.19176 197.2
[M+H-H2O]+ 387.22586 189.5
[M+HCOO]- 449.22680 215.1
[M+CH3COO]- 463.24245 208.5
[M+Na-2H]- 425.20327 196.2
[M]+ 404.22805 199.3
[M]- 404.22915 199.3
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.