CID 3044278

Rmi 61205

Structural Information

Molecular Formula
C26H22N2O3
SMILES
C1CN(CCN1C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42)C(=O)OC5=CC=CC=C5
InChI
InChI=1S/C26H22N2O3/c29-25-21-11-5-4-8-19(21)18-24(22-12-6-7-13-23(22)25)27-14-16-28(17-15-27)26(30)31-20-9-2-1-3-10-20/h1-13,18H,14-17H2
InChIKey
YWHJLKKTMFLFOQ-UHFFFAOYSA-N
Compound name
phenyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.16306 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17034 202.4
[M+Na]+ 433.15228 217.4
[M+NH4]+ 428.19688 209.5
[M+K]+ 449.12622 208.9
[M-H]- 409.15578 208.5
[M+Na-2H]- 431.13773 210.9
[M]+ 410.16251 206.5
[M]- 410.16361 206.5
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.