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 160.7
[M+Na]+ 287.15188 166.9
[M-H]- 263.15538 165.4
[M+NH4]+ 282.19648 178.4
[M+K]+ 303.12582 159.7
[M+H-H2O]+ 247.15992 152.7
[M+HCOO]- 309.16086 177.4
[M+CH3COO]- 323.17651 171.0
[M+Na-2H]- 285.13733 163.8
[M]+ 264.16211 153.5
[M]- 264.16321 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.