CID 3048659

5h-benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-7-chloro-5-(8-methyl-8-azabicyclo(3.2.1)oct-5-yl)oxy-, hydrogen fumarate

Structural Information

Molecular Formula
C22H25ClN2O
SMILES
CN1C2CCCC1(CC2)OC3C4=C(CCC5=C3C=C(C=C5)Cl)N=CC=C4
InChI
InChI=1S/C22H25ClN2O/c1-25-17-4-2-11-22(25,12-10-17)26-21-18-5-3-13-24-20(18)9-7-15-6-8-16(23)14-19(15)21/h3,5-6,8,13-14,17,21H,2,4,7,9-12H2,1H3
InChIKey
UAADFXHSVOMEKZ-UHFFFAOYSA-N
Compound name
14-chloro-2-[(8-methyl-8-azabicyclo[3.2.1]octan-1-yl)oxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.16553 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.17281 186.2
[M+Na]+ 391.15475 198.7
[M+NH4]+ 386.19935 196.9
[M+K]+ 407.12869 190.1
[M-H]- 367.15825 190.1
[M+Na-2H]- 389.14020 191.0
[M]+ 368.16498 189.7
[M]- 368.16608 189.7
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.