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 202.1
[M+Na]+ 433.15228 208.3
[M-H]- 409.15578 211.2
[M+NH4]+ 428.19688 210.5
[M+K]+ 449.12622 206.0
[M+H-H2O]+ 393.16032 191.5
[M+HCOO]- 455.16126 216.8
[M+CH3COO]- 469.17691 209.9
[M+Na-2H]- 431.13773 205.4
[M]+ 410.16251 198.4
[M]- 410.16361 198.4
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

No patent data available for this compound.