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]+ 371.19655 190.3
[M+Na]+ 393.17849 195.1
[M-H]- 369.18199 196.4
[M+NH4]+ 388.22309 199.1
[M+K]+ 409.15243 191.6
[M+H-H2O]+ 353.18653 178.7
[M+HCOO]- 415.18747 206.3
[M+CH3COO]- 429.20312 217.6
[M+Na-2H]- 391.16394 190.1
[M]+ 370.18872 191.4
[M]- 370.18982 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