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 183.7
[M+Na]+ 352.20358 191.0
[M-H]- 328.20708 189.3
[M+NH4]+ 347.24818 203.6
[M+K]+ 368.17752 182.5
[M+H-H2O]+ 312.21162 173.9
[M+HCOO]- 374.21256 195.7
[M+CH3COO]- 388.22821 193.0
[M+Na-2H]- 350.18903 184.5
[M]+ 329.21381 179.1
[M]- 329.21491 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