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

1
Patents

329.21436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.221636 183.7
[M+Na]+ 352.203578 191.0
[M-H]- 328.207084 189.3
[M+NH4]+ 347.248183 203.6
[M+K]+ 368.177518 182.5
[M+H-H2O]+ 312.211620 173.9
[M+HCOO]- 374.212561 195.7
[M+CH3COO]- 388.228211 193.0
[M+Na-2H]- 350.189026 184.5
[M]+ 329.21381142 179.1
[M]- 329.21490858 179.1
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

patents stripe