CID 54555

80276-07-9

Structural Information

Molecular Formula
C20H19NO2
SMILES
CN1CCC=C2C1C(C3=CC=CC=C23)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H19NO2/c1-21-13-7-12-16-15-10-5-6-11-17(15)19(18(16)21)23-20(22)14-8-3-2-4-9-14/h2-6,8-12,18-19H,7,13H2,1H3
InChIKey
LAGBOONPWAKBAV-UHFFFAOYSA-N
Compound name
(1-methyl-2,3,9,9a-tetrahydroindeno[2,3-b]pyridin-9-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.14157 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14885 172.3
[M+Na]+ 328.13079 186.8
[M+NH4]+ 323.17539 181.9
[M+K]+ 344.10473 179.9
[M-H]- 304.13429 177.2
[M+Na-2H]- 326.11624 179.1
[M]+ 305.14102 175.9
[M]- 305.14212 175.9
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.