CID 49407

Brn 0564699

Structural Information

Molecular Formula
C22H28N2O
SMILES
CN1CCN(CC1)CCC2(C3=CC=CC=C3CCC4=CC=CC=C42)O
InChI
InChI=1S/C22H28N2O/c1-23-14-16-24(17-15-23)13-12-22(25)20-8-4-2-6-18(20)10-11-19-7-3-5-9-21(19)22/h2-9,25H,10-17H2,1H3
InChIKey
QSQPJYKPCAFECJ-UHFFFAOYSA-N
Compound name
2-[2-(4-methylpiperazin-1-yl)ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.22015 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.22743 185.1
[M+Na]+ 359.20937 189.6
[M-H]- 335.21287 189.3
[M+NH4]+ 354.25397 198.1
[M+K]+ 375.18331 186.3
[M+H-H2O]+ 319.21741 175.2
[M+HCOO]- 381.21835 196.3
[M+CH3COO]- 395.23400 192.6
[M+Na-2H]- 357.19482 188.4
[M]+ 336.21960 177.7
[M]- 336.22070 177.7
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.