CID 12886489

Brn 4698582

Structural Information

Molecular Formula
C19H21NO
SMILES
CN1CCC[C@H]2[C@@H]1C3=CC=CC=C3[C@@H]2C4=CC=C(C=C4)O
InChI
InChI=1S/C19H21NO/c1-20-12-4-7-17-18(13-8-10-14(21)11-9-13)15-5-2-3-6-16(15)19(17)20/h2-3,5-6,8-11,17-19,21H,4,7,12H2,1H3/t17-,18+,19+/m1/s1
InChIKey
BNDAFWUYLQIZDG-QYZOEREBSA-N
Compound name
4-[(4aR,5S,9bR)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.16232 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16960 166.5
[M+Na]+ 302.15154 173.8
[M-H]- 278.15504 172.0
[M+NH4]+ 297.19614 184.4
[M+K]+ 318.12548 167.4
[M+H-H2O]+ 262.15958 158.6
[M+HCOO]- 324.16052 182.5
[M+CH3COO]- 338.17617 177.2
[M+Na-2H]- 300.13699 168.6
[M]+ 279.16177 162.8
[M]- 279.16287 162.8
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.