CID 24842244

104373-56-0

Structural Information

Molecular Formula
C22H30N4O
SMILES
CC1=CC(=C(C(=C1C)N2CCN(C(C2)C3=CC=CC=N3)CCC(=O)N)C)C
InChI
InChI=1S/C22H30N4O/c1-15-13-16(2)18(4)22(17(15)3)26-12-11-25(10-8-21(23)27)20(14-26)19-7-5-6-9-24-19/h5-7,9,13,20H,8,10-12,14H2,1-4H3,(H2,23,27)
InChIKey
QJKKATXPDGPOTP-UHFFFAOYSA-N
Compound name
3-[2-pyridin-2-yl-4-(2,3,5,6-tetramethylphenyl)piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.24197 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.24925 196.1
[M+Na]+ 389.23119 202.0
[M-H]- 365.23469 200.9
[M+NH4]+ 384.27579 204.0
[M+K]+ 405.20513 195.6
[M+H-H2O]+ 349.23923 184.5
[M+HCOO]- 411.24017 210.3
[M+CH3COO]- 425.25582 224.6
[M+Na-2H]- 387.21664 193.2
[M]+ 366.24142 193.3
[M]- 366.24252 193.3
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.