CID 3048325

63903-56-0

Structural Information

Molecular Formula
C17H25N
SMILES
CC[C@@H]1[C@@H]2CC3=CC=CC=C3[C@@]1(CCN2C)CC
InChI
InChI=1S/C17H25N/c1-4-14-16-12-13-8-6-7-9-15(13)17(14,5-2)10-11-18(16)3/h6-9,14,16H,4-5,10-12H2,1-3H3/t14-,16+,17-/m1/s1
InChIKey
LORWVZGWCGQVKH-HYVNUMGLSA-N
Compound name
(1R,9S,13S)-1,13-diethyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1987 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20598 161.0
[M+Na]+ 266.18792 174.7
[M+NH4]+ 261.23252 173.2
[M+K]+ 282.16186 163.2
[M-H]- 242.19142 164.3
[M+Na-2H]- 264.17337 166.3
[M]+ 243.19815 164.2
[M]- 243.19925 164.2
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.