CID 37918

Brn 0489237

Structural Information

Molecular Formula
C21H30N2O
SMILES
CC1=CC(=CC2=C1NC(=C2CCN3CC4CCC(C3)CC4)C)OC
InChI
InChI=1S/C21H30N2O/c1-14-10-18(24-3)11-20-19(15(2)22-21(14)20)8-9-23-12-16-4-5-17(13-23)7-6-16/h10-11,16-17,22H,4-9,12-13H2,1-3H3
InChIKey
KUJWSCWRLKXFAM-UHFFFAOYSA-N
Compound name
3-[2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl]-5-methoxy-2,7-dimethyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2358 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24308 186.5
[M+Na]+ 349.22502 196.0
[M-H]- 325.22852 188.9
[M+NH4]+ 344.26962 203.8
[M+K]+ 365.19896 189.3
[M+H-H2O]+ 309.23306 184.7
[M+HCOO]- 371.23400 195.0
[M+CH3COO]- 385.24965 194.4
[M+Na-2H]- 347.21047 190.9
[M]+ 326.23525 187.4
[M]- 326.23635 187.4
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