CID 199021

Nm-578

Structural Information

Molecular Formula
C22H29ClN2S
SMILES
C1CCN(CC1)CCCN(CCSC2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C22H29ClN2S/c23-20-10-12-22(13-11-20)26-19-18-25(21-8-3-1-4-9-21)17-7-16-24-14-5-2-6-15-24/h1,3-4,8-13H,2,5-7,14-19H2
InChIKey
HHQNCEVCYVTBSS-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)sulfanylethyl]-N-(3-piperidin-1-ylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.174 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18128 191.9
[M+Na]+ 411.16322 194.6
[M-H]- 387.16672 199.1
[M+NH4]+ 406.20782 203.0
[M+K]+ 427.13716 187.5
[M+H-H2O]+ 371.17126 181.7
[M+HCOO]- 433.17220 201.3
[M+CH3COO]- 447.18785 199.6
[M+Na-2H]- 409.14867 191.4
[M]+ 388.17345 192.6
[M]- 388.17455 192.6
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.