CID 12885657

Brn 5754899

Structural Information

Molecular Formula
C18H19NO
SMILES
C1C[C@@H]2[C@H](C3=CC=CC=C3[C@@H]2NC1)C4=CC=C(C=C4)O
InChI
InChI=1S/C18H19NO/c20-13-9-7-12(8-10-13)17-14-4-1-2-5-15(14)18-16(17)6-3-11-19-18/h1-2,4-5,7-10,16-20H,3,6,11H2/t16-,17+,18+/m1/s1
InChIKey
DCZYNQKWNBAGMN-SQNIBIBYSA-N
Compound name
4-[(4aR,5S,9bR)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.153946 161.2
[M+Na]+ 288.135888 167.7
[M-H]- 264.139394 165.2
[M+NH4]+ 283.180493 178.7
[M+K]+ 304.109828 160.6
[M+H-H2O]+ 248.143930 153.6
[M+HCOO]- 310.144871 176.2
[M+CH3COO]- 324.160521 171.5
[M+Na-2H]- 286.121336 164.3
[M]+ 265.14612142 155.1
[M]- 265.14721858 155.1
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.