CID 491983

Bdbm2826

Structural Information

Molecular Formula
C22H23NO2
SMILES
COC(=O)N1CCC(=C2C3=CC=CC=C3CCC4=CC=CC=C42)CC1
InChI
InChI=1S/C22H23NO2/c1-25-22(24)23-14-12-18(13-15-23)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-9H,10-15H2,1H3
InChIKey
YJAVTTDWRNUDEA-UHFFFAOYSA-N
Compound name
methyl 4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.17288 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.18016 179.7
[M+Na]+ 356.16210 183.8
[M-H]- 332.16560 186.5
[M+NH4]+ 351.20670 192.9
[M+K]+ 372.13604 182.0
[M+H-H2O]+ 316.17014 172.0
[M+HCOO]- 378.17108 193.4
[M+CH3COO]- 392.18673 188.4
[M+Na-2H]- 354.14755 181.9
[M]+ 333.17233 172.6
[M]- 333.17343 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.