CID 54691170

Zinc03958220

Structural Information

Molecular Formula
C17H19NO2
SMILES
CC1(CC2=CC(=C(C(=O)N2C1)CC3=CC=CC=C3)O)C
InChI
InChI=1S/C17H19NO2/c1-17(2)10-13-9-15(19)14(16(20)18(13)11-17)8-12-6-4-3-5-7-12/h3-7,9,19H,8,10-11H2,1-2H3
InChIKey
MUGJPGYUTOKMRH-UHFFFAOYSA-N
Compound name
6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 161.7
[M+Na]+ 292.13079 171.9
[M-H]- 268.13429 167.7
[M+NH4]+ 287.17539 181.6
[M+K]+ 308.10473 166.6
[M+H-H2O]+ 252.13883 154.8
[M+HCOO]- 314.13977 182.1
[M+CH3COO]- 328.15542 174.3
[M+Na-2H]- 290.11624 165.4
[M]+ 269.14102 162.8
[M]- 269.14212 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.