CID 15295498

C9pav4bvf4

Structural Information

Molecular Formula
C19H26N2OS
SMILES
COCC1(CCN(CC1)CCC2=CC=CS2)NC3=CC=CC=C3
InChI
InChI=1S/C19H26N2OS/c1-22-16-19(20-17-6-3-2-4-7-17)10-13-21(14-11-19)12-9-18-8-5-15-23-18/h2-8,15,20H,9-14,16H2,1H3
InChIKey
UBUDUWLTRRWLSI-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)-N-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

330.17657 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18385 177.6
[M+Na]+ 353.16579 181.8
[M-H]- 329.16929 184.8
[M+NH4]+ 348.21039 193.6
[M+K]+ 369.13973 176.8
[M+H-H2O]+ 313.17383 168.8
[M+HCOO]- 375.17477 193.4
[M+CH3COO]- 389.19042 187.2
[M+Na-2H]- 351.15124 178.4
[M]+ 330.17602 176.8
[M]- 330.17712 176.8
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