CID 42073

Rmi 60971

Structural Information

Molecular Formula
C24H26N2O
SMILES
C1CCC(C1)N2CCN(CC2)C3=CC4=CC=CC=C4C(=O)C5=CC=CC=C53
InChI
InChI=1S/C24H26N2O/c27-24-20-10-4-1-7-18(20)17-23(21-11-5-6-12-22(21)24)26-15-13-25(14-16-26)19-8-2-3-9-19/h1,4-7,10-12,17,19H,2-3,8-9,13-16H2
InChIKey
AKFOVQPWIIRBKM-UHFFFAOYSA-N
Compound name
9-(4-cyclopentylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.2045 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.21178 190.4
[M+Na]+ 381.19372 195.9
[M-H]- 357.19722 199.3
[M+NH4]+ 376.23832 202.8
[M+K]+ 397.16766 191.5
[M+H-H2O]+ 341.20176 180.6
[M+HCOO]- 403.20270 204.5
[M+CH3COO]- 417.21835 198.7
[M+Na-2H]- 379.17917 190.4
[M]+ 358.20395 183.1
[M]- 358.20505 183.1
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.