CID 55854

Brn 4704503

Structural Information

Molecular Formula
C18H20N2O
SMILES
C1C[C@H]2[C@@H](C3=C([C@H]2NC1)C=CC(=C3)O)C4=CC=C(C=C4)N
InChI
InChI=1S/C18H20N2O/c19-12-5-3-11(4-6-12)17-15-2-1-9-20-18(15)14-8-7-13(21)10-16(14)17/h3-8,10,15,17-18,20-21H,1-2,9,19H2/t15-,17-,18+/m0/s1
InChIKey
JXGVJGULDBBMPP-RYQLBKOJSA-N
Compound name
(4aS,5R,9bS)-5-(4-aminophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.15756 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 164.4
[M+Na]+ 303.14678 170.9
[M-H]- 279.15028 168.2
[M+NH4]+ 298.19138 181.0
[M+K]+ 319.12072 163.6
[M+H-H2O]+ 263.15482 156.9
[M+HCOO]- 325.15576 179.7
[M+CH3COO]- 339.17141 174.2
[M+Na-2H]- 301.13223 166.6
[M]+ 280.15701 157.3
[M]- 280.15811 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.