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]+ 332.16451 178.9
[M+Na]+ 354.14645 186.7
[M-H]- 330.14995 185.4
[M+NH4]+ 349.19105 193.1
[M+K]+ 370.12039 179.7
[M+H-H2O]+ 314.15449 168.9
[M+HCOO]- 376.15543 195.4
[M+CH3COO]- 390.17108 188.9
[M+Na-2H]- 352.13190 182.5
[M]+ 331.15668 176.8
[M]- 331.15778 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.