CID 3062715

Piperazine, 1-(3,5-dimethoxy-4-(phenylmethoxy)benzoyl)-4-methyl-, monohydrochloride

Structural Information

Molecular Formula
C21H26N2O4
SMILES
CN1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC
InChI
InChI=1S/C21H26N2O4/c1-22-9-11-23(12-10-22)21(24)17-13-18(25-2)20(19(14-17)26-3)27-15-16-7-5-4-6-8-16/h4-8,13-14H,9-12,15H2,1-3H3
InChIKey
LNHQPQLACVQNPW-UHFFFAOYSA-N
Compound name
(3,5-dimethoxy-4-phenylmethoxyphenyl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18927 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.196546 190.3
[M+Na]+ 393.178488 195.1
[M-H]- 369.181994 196.4
[M+NH4]+ 388.223093 199.1
[M+K]+ 409.152428 191.6
[M+H-H2O]+ 353.186530 178.7
[M+HCOO]- 415.187471 206.3
[M+CH3COO]- 429.203121 217.6
[M+Na-2H]- 391.163936 190.1
[M]+ 370.18872142 191.4
[M]- 370.18981858 191.4
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