CID 28760

1-(p-tolyl)-4-(3,4,5-trimethoxybenzoyl)piperazine

Structural Information

Molecular Formula
C21H26N2O4
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H26N2O4/c1-15-5-7-17(8-6-15)22-9-11-23(12-10-22)21(24)16-13-18(25-2)20(27-4)19(14-16)26-3/h5-8,13-14H,9-12H2,1-4H3
InChIKey
PPZFNVKWQORGGR-UHFFFAOYSA-N
Compound name
[4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.18927 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19655 190.4
[M+Na]+ 393.17849 204.3
[M+NH4]+ 388.22309 196.5
[M+K]+ 409.15243 197.4
[M-H]- 369.18199 194.8
[M+Na-2H]- 391.16394 197.4
[M]+ 370.18872 193.6
[M]- 370.18982 193.6
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

patents stripe