CID 3033734

88763-10-4

Structural Information

Molecular Formula
C18H20N2
SMILES
C1C[C@@H]2[C@H](C3=CC=CC=C3[C@@H]2NC1)C4=CC(=CC=C4)N
InChI
InChI=1S/C18H20N2/c19-13-6-3-5-12(11-13)17-14-7-1-2-8-15(14)18-16(17)9-4-10-20-18/h1-3,5-8,11,16-18,20H,4,9-10,19H2/t16-,17+,18+/m1/s1
InChIKey
WGOPNFQXUSGBOU-SQNIBIBYSA-N
Compound name
3-[(4aR,5S,9bR)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.16266 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.169936 160.7
[M+Na]+ 287.151878 166.9
[M-H]- 263.155384 165.4
[M+NH4]+ 282.196483 178.4
[M+K]+ 303.125818 159.7
[M+H-H2O]+ 247.159920 152.7
[M+HCOO]- 309.160861 177.4
[M+CH3COO]- 323.176511 171.0
[M+Na-2H]- 285.137326 163.8
[M]+ 264.16211142 153.5
[M]- 264.16320858 153.5
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.