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 161.2
[M+Na]+ 288.13589 167.7
[M-H]- 264.13939 165.2
[M+NH4]+ 283.18049 178.7
[M+K]+ 304.10983 160.6
[M+H-H2O]+ 248.14393 153.6
[M+HCOO]- 310.14487 176.2
[M+CH3COO]- 324.16052 171.5
[M+Na-2H]- 286.12134 164.3
[M]+ 265.14612 155.1
[M]- 265.14722 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.