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]+ 371.196546 190.4
[M+Na]+ 393.178488 196.1
[M-H]- 369.181994 196.9
[M+NH4]+ 388.223093 199.5
[M+K]+ 409.152428 192.7
[M+H-H2O]+ 353.186530 179.1
[M+HCOO]- 415.187471 206.4
[M+CH3COO]- 429.203121 218.9
[M+Na-2H]- 391.163936 189.5
[M]+ 370.18872142 192.0
[M]- 370.18981858 192.0
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