CID 491982

Methyl 4-dibenzo[b,f]annulen-5-ylidenepiperidinecarboxylate

Structural Information

Molecular Formula
C22H21NO2
SMILES
COC(=O)N1CCC(=C2C3=CC=CC=C3C(=C)C4=CC=CC=C42)CC1
InChI
InChI=1S/C22H21NO2/c1-15-17-7-3-5-9-19(17)21(20-10-6-4-8-18(15)20)16-11-13-23(14-12-16)22(24)25-2/h3-10H,1,11-14H2,2H3
InChIKey
UHNPWMDJIFNFOA-UHFFFAOYSA-N
Compound name
methyl 4-(10-methylideneanthracen-9-ylidene)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.15723 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.164506 178.9
[M+Na]+ 354.146448 186.7
[M-H]- 330.149954 185.4
[M+NH4]+ 349.191053 193.1
[M+K]+ 370.120388 179.7
[M+H-H2O]+ 314.154490 168.9
[M+HCOO]- 376.155431 195.4
[M+CH3COO]- 390.171081 188.9
[M+Na-2H]- 352.131896 182.5
[M]+ 331.15668142 176.8
[M]- 331.15777858 176.8
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.