CID 10881633

W57n5487sb

Structural Information

Molecular Formula
C18H24N2OS
SMILES
C1CN(CCC1(CO)NC2=CC=CC=C2)CCC3=CC=CS3
InChI
InChI=1S/C18H24N2OS/c21-15-18(19-16-5-2-1-3-6-16)9-12-20(13-10-18)11-8-17-7-4-14-22-17/h1-7,14,19,21H,8-13,15H2
InChIKey
QXWYCZZCKVKIHV-UHFFFAOYSA-N
Compound name
[4-anilino-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

316.16095 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16823 173.0
[M+Na]+ 339.15017 177.3
[M-H]- 315.15367 179.0
[M+NH4]+ 334.19477 188.9
[M+K]+ 355.12411 171.6
[M+H-H2O]+ 299.15821 164.8
[M+HCOO]- 361.15915 187.7
[M+CH3COO]- 375.17480 182.4
[M+Na-2H]- 337.13562 174.0
[M]+ 316.16040 170.1
[M]- 316.16150 170.1
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