CID 28754

17766-62-0

Structural Information

Molecular Formula
C25H34N2O4
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C25H34N2O4/c1-25(2,3)20-9-7-18(8-10-20)17-26-11-13-27(14-12-26)24(28)19-15-21(29-4)23(31-6)22(16-19)30-5/h7-10,15-16H,11-14,17H2,1-6H3
InChIKey
SNMTWROJPBGTIB-UHFFFAOYSA-N
Compound name
[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.25186 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.25914 206.8
[M+Na]+ 449.24108 219.5
[M+NH4]+ 444.28568 212.0
[M+K]+ 465.21502 213.1
[M-H]- 425.24458 210.5
[M+Na-2H]- 447.22653 212.9
[M]+ 426.25131 209.7
[M]- 426.25241 209.7
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.