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]+ 281.164836 164.4
[M+Na]+ 303.146778 170.9
[M-H]- 279.150284 168.2
[M+NH4]+ 298.191383 181.0
[M+K]+ 319.120718 163.6
[M+H-H2O]+ 263.154820 156.9
[M+HCOO]- 325.155761 179.7
[M+CH3COO]- 339.171411 174.2
[M+Na-2H]- 301.132226 166.6
[M]+ 280.15701142 157.3
[M]- 280.15810858 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.