CID 24178121

(3as)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one

Structural Information

Molecular Formula
C17H14N2O2
SMILES
C1CN(C2=NC3=CC=CC=C3C(=O)[C@@]21O)C4=CC=CC=C4
InChI
InChI=1S/C17H14N2O2/c20-15-13-8-4-5-9-14(13)18-16-17(15,21)10-11-19(16)12-6-2-1-3-7-12/h1-9,21H,10-11H2/t17-/m1/s1
InChIKey
DOMYOVZXZIZTRD-QGZVFWFLSA-N
Compound name
(3aS)-3a-hydroxy-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

278.10553 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 163.9
[M+Na]+ 301.09475 173.4
[M-H]- 277.09825 168.8
[M+NH4]+ 296.13935 182.1
[M+K]+ 317.06869 167.3
[M+H-H2O]+ 261.10279 154.9
[M+HCOO]- 323.10373 181.1
[M+CH3COO]- 337.11938 175.2
[M+Na-2H]- 299.08020 169.7
[M]+ 278.10498 162.2
[M]- 278.10608 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe