CID 24178119

(3as)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CC1=C2C(=CC=C1)N=C3[C@](C2=O)(CCN3C4=CC=CC=C4)O
InChI
InChI=1S/C18H16N2O2/c1-12-6-5-9-14-15(12)16(21)18(22)10-11-20(17(18)19-14)13-7-3-2-4-8-13/h2-9,22H,10-11H2,1H3/t18-/m1/s1
InChIKey
NJBBBRZNBVLTRZ-GOSISDBHSA-N
Compound name
(3aS)-3a-hydroxy-5-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

292.1212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 168.6
[M+Na]+ 315.11042 178.6
[M-H]- 291.11392 173.7
[M+NH4]+ 310.15502 186.6
[M+K]+ 331.08436 172.3
[M+H-H2O]+ 275.11846 159.8
[M+HCOO]- 337.11940 185.5
[M+CH3COO]- 351.13505 179.9
[M+Na-2H]- 313.09587 173.2
[M]+ 292.12065 167.7
[M]- 292.12175 167.7
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.