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 172.4
[M+Na]+ 328.13079 179.5
[M-H]- 304.13429 179.2
[M+NH4]+ 323.17539 189.4
[M+K]+ 344.10473 174.2
[M+H-H2O]+ 288.13883 163.7
[M+HCOO]- 350.13977 190.3
[M+CH3COO]- 364.15542 183.2
[M+Na-2H]- 326.11624 174.9
[M]+ 305.14102 171.8
[M]- 305.14212 171.8
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.