CID 204033

3-alpha-((1-methyl-10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate

Structural Information

Molecular Formula
C24H29NO
SMILES
CC1=C2CCC3=CC=CC=C3C(C2=CC=C1)OC4C[C@H]5CC[C@@H](C4)N5C
InChI
InChI=1S/C24H29NO/c1-16-6-5-9-23-21(16)13-10-17-7-3-4-8-22(17)24(23)26-20-14-18-11-12-19(15-20)25(18)2/h3-9,18-20,24H,10-15H2,1-2H3/t18-,19+,20?,24?
InChIKey
RKIQFVVDNLFUNH-IDMBRNPXSA-N
Compound name
(1S,5R)-8-methyl-3-[(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxy]-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.2249 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.232176 187.0
[M+Na]+ 370.214118 192.4
[M-H]- 346.217624 193.8
[M+NH4]+ 365.258723 203.4
[M+K]+ 386.188058 188.1
[M+H-H2O]+ 330.222160 180.0
[M+HCOO]- 392.223101 199.2
[M+CH3COO]- 406.238751 195.6
[M+Na-2H]- 368.199566 187.1
[M]+ 347.22435142 181.9
[M]- 347.22544858 181.9
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.