CID 214022

3-(10,10-dimethyl-9,10-dihydroanthracen-9-ylidene)tropane

Structural Information

Molecular Formula
C24H27N
SMILES
CC1(C2=CC=CC=C2C(=C3CC4CCC(C3)N4C)C5=CC=CC=C51)C
InChI
InChI=1S/C24H27N/c1-24(2)21-10-6-4-8-19(21)23(20-9-5-7-11-22(20)24)16-14-17-12-13-18(15-16)25(17)3/h4-11,17-18H,12-15H2,1-3H3
InChIKey
OAEZJIXITIVTKP-UHFFFAOYSA-N
Compound name
3-(10,10-dimethylanthracen-9-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.21436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.22164 184.5
[M+Na]+ 352.20358 199.4
[M+NH4]+ 347.24818 197.2
[M+K]+ 368.17752 188.2
[M-H]- 328.20708 190.2
[M+Na-2H]- 350.18903 189.7
[M]+ 329.21381 188.6
[M]- 329.21491 188.6
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.