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

2
Patents

326.2358 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.243076 186.5
[M+Na]+ 349.225018 196.0
[M-H]- 325.228524 188.9
[M+NH4]+ 344.269623 203.8
[M+K]+ 365.198958 189.3
[M+H-H2O]+ 309.233060 184.7
[M+HCOO]- 371.234001 195.0
[M+CH3COO]- 385.249651 194.4
[M+Na-2H]- 347.210466 190.9
[M]+ 326.23525142 187.4
[M]- 326.23634858 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