CID 3044279

Rmi 61214

Structural Information

Molecular Formula
C23H22N2O3
SMILES
C=CCOC(=O)N1CCN(CC1)C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42
InChI
InChI=1S/C23H22N2O3/c1-2-15-28-23(27)25-13-11-24(12-14-25)21-16-17-7-3-4-8-18(17)22(26)20-10-6-5-9-19(20)21/h2-10,16H,1,11-15H2
InChIKey
OMIWWZYXSPGTRA-UHFFFAOYSA-N
Compound name
prop-2-enyl 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

374.16306 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.17034 190.4
[M+Na]+ 397.15228 203.4
[M+NH4]+ 392.19688 196.7
[M+K]+ 413.12622 196.2
[M-H]- 373.15578 193.7
[M+Na-2H]- 395.13773 196.2
[M]+ 374.16251 193.2
[M]- 374.16361 193.2
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.