CID 489463

1-[4-methoxy-3,5-dimethylbenzyl]-4-[3-(2-propenylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C22H30N4O
SMILES
CC1=CC(=CC(=C1OC)C)CN2CCN(CC2)C3=C(C=CC=N3)NCC=C
InChI
InChI=1S/C22H30N4O/c1-5-8-23-20-7-6-9-24-22(20)26-12-10-25(11-13-26)16-19-14-17(2)21(27-4)18(3)15-19/h5-7,9,14-15,23H,1,8,10-13,16H2,2-4H3
InChIKey
TYHNNTJMMLTELY-UHFFFAOYSA-N
Compound name
2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.24197 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.24925 195.1
[M+Na]+ 389.23119 200.4
[M-H]- 365.23469 199.8
[M+NH4]+ 384.27579 203.0
[M+K]+ 405.20513 193.6
[M+H-H2O]+ 349.23923 182.8
[M+HCOO]- 411.24017 210.9
[M+CH3COO]- 425.25582 222.9
[M+Na-2H]- 387.21664 195.2
[M]+ 366.24142 193.4
[M]- 366.24252 193.4
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.