CID 3044282

Rmi 61223

Structural Information

Molecular Formula
C25H21N3O2
SMILES
C1CN(CCN1C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42)C(=O)C5=CN=CC=C5
InChI
InChI=1S/C25H21N3O2/c29-24-20-8-2-1-6-18(20)16-23(21-9-3-4-10-22(21)24)27-12-14-28(15-13-27)25(30)19-7-5-11-26-17-19/h1-11,16-17H,12-15H2
InChIKey
LAKQZRJREFUJQR-UHFFFAOYSA-N
Compound name
9-[4-(pyridine-3-carbonyl)piperazin-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

395.1634 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.17068 199.3
[M+Na]+ 418.15262 214.6
[M+NH4]+ 413.19722 206.2
[M+K]+ 434.12656 206.2
[M-H]- 394.15612 205.0
[M+Na-2H]- 416.13807 207.9
[M]+ 395.16285 203.3
[M]- 395.16395 203.3
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.