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]+ 279.185556 166.5
[M+Na]+ 301.167498 173.4
[M-H]- 277.171004 172.7
[M+NH4]+ 296.212103 184.6
[M+K]+ 317.141438 166.9
[M+H-H2O]+ 261.175540 158.1
[M+HCOO]- 323.176481 184.2
[M+CH3COO]- 337.192131 177.2
[M+Na-2H]- 299.152946 168.5
[M]+ 278.17773142 161.6
[M]- 278.17882858 161.6
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.