CID 28753

17766-61-9

Structural Information

Molecular Formula
C22H28N2O4
SMILES
CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C22H28N2O4/c1-16-6-5-7-17(12-16)15-23-8-10-24(11-9-23)22(25)18-13-19(26-2)21(28-4)20(14-18)27-3/h5-7,12-14H,8-11,15H2,1-4H3
InChIKey
LTXPFWVDWUYKGW-UHFFFAOYSA-N
Compound name
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2049 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 194.8
[M+Na]+ 407.19412 200.1
[M-H]- 383.19762 201.1
[M+NH4]+ 402.23872 203.4
[M+K]+ 423.16806 196.5
[M+H-H2O]+ 367.20216 183.3
[M+HCOO]- 429.20310 210.5
[M+CH3COO]- 443.21875 221.8
[M+Na-2H]- 405.17957 193.4
[M]+ 384.20435 196.8
[M]- 384.20545 196.8
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.