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]+ 266.15395 162.9
[M+Na]+ 288.13589 176.6
[M+NH4]+ 283.18049 173.0
[M+K]+ 304.10983 169.7
[M-H]- 264.13939 167.6
[M+Na-2H]- 286.12134 168.9
[M]+ 265.14612 166.2
[M]- 265.14722 166.2
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.