CID 3033733

88763-09-1

Structural Information

Molecular Formula
C19H22N2
SMILES
CN1CCC[C@H]2[C@@H]1C3=CC=CC=C3[C@H]2C4=CC=C(C=C4)N
InChI
InChI=1S/C19H22N2/c1-21-12-4-7-17-18(13-8-10-14(20)11-9-13)15-5-2-3-6-16(15)19(17)21/h2-3,5-6,8-11,17-19H,4,7,12,20H2,1H3/t17-,18-,19+/m1/s1
InChIKey
OKNQPPQXEDUWAI-QRVBRYPASA-N
Compound name
4-[(4aR,5R,9bR)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.17828 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 167.2
[M+Na]+ 301.16750 181.1
[M+NH4]+ 296.21210 177.8
[M+K]+ 317.14144 173.7
[M-H]- 277.17100 173.5
[M+Na-2H]- 299.15295 173.7
[M]+ 278.17773 171.1
[M]- 278.17883 171.1
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.