CID 15953885

2-[4-[(3,5-dimethyl-4-methylsulfanyl-phenyl)methyl]piperazin-1-yl]-n-ethyl-pyridin-3-amine

Structural Information

Molecular Formula
C21H30N4S
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)C)SC)C
InChI
InChI=1S/C21H30N4S/c1-5-22-19-7-6-8-23-21(19)25-11-9-24(10-12-25)15-18-13-16(2)20(26-4)17(3)14-18/h6-8,13-14,22H,5,9-12,15H2,1-4H3
InChIKey
SJOKAUSHMIVOAM-UHFFFAOYSA-N
Compound name
2-[4-[(3,5-dimethyl-4-methylsulfanylphenyl)methyl]piperazin-1-yl]-N-ethylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.21912 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.22640 191.7
[M+Na]+ 393.20834 197.8
[M-H]- 369.21184 196.6
[M+NH4]+ 388.25294 200.5
[M+K]+ 409.18228 190.3
[M+H-H2O]+ 353.21638 180.7
[M+HCOO]- 415.21732 202.8
[M+CH3COO]- 429.23297 199.6
[M+Na-2H]- 391.19379 190.0
[M]+ 370.21857 191.3
[M]- 370.21967 191.3
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.