CID 203892

Piperazine, 1-(2-(9,10-ethanoanthracen-9(10h)-yloxy)ethyl)-4-methyl-, dihydrochloride

Structural Information

Molecular Formula
C23H28N2O
SMILES
CN1CCN(CC1)CCOC23CCC(C4=CC=CC=C42)C5=CC=CC=C35
InChI
InChI=1S/C23H28N2O/c1-24-12-14-25(15-13-24)16-17-26-23-11-10-18(19-6-2-4-8-21(19)23)20-7-3-5-9-22(20)23/h2-9,18H,10-17H2,1H3
InChIKey
ACCUGXYBVJSKPH-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.22015 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22743 182.2
[M+Na]+ 371.20937 184.5
[M-H]- 347.21287 182.9
[M+NH4]+ 366.25397 198.1
[M+K]+ 387.18331 178.3
[M+H-H2O]+ 331.21741 168.6
[M+HCOO]- 393.21835 188.1
[M+CH3COO]- 407.23400 188.5
[M+Na-2H]- 369.19482 189.3
[M]+ 348.21960 180.4
[M]- 348.22070 180.4
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