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]+ 375.170336 190.3
[M+Na]+ 397.152278 196.9
[M-H]- 373.155784 196.7
[M+NH4]+ 392.196883 200.8
[M+K]+ 413.126218 195.0
[M+H-H2O]+ 357.160320 181.0
[M+HCOO]- 419.161261 205.3
[M+CH3COO]- 433.176911 198.9
[M+Na-2H]- 395.137726 193.3
[M]+ 374.16251142 187.9
[M]- 374.16360858 187.9
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.