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]+ 265.16994 162.9
[M+Na]+ 287.15188 176.0
[M+NH4]+ 282.19648 173.2
[M+K]+ 303.12582 169.0
[M-H]- 263.15538 168.6
[M+Na-2H]- 285.13733 169.3
[M]+ 264.16211 166.4
[M]- 264.16321 166.4
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

No patent data available for this compound.