CID 54680204

Sch-37224

Structural Information

Molecular Formula
C18H17N3O2
SMILES
C1CCN(C1)C2=C(C3=C(N=CC=C3)N(C2=O)C4=CC=CC=C4)O
InChI
InChI=1S/C18H17N3O2/c22-16-14-9-6-10-19-17(14)21(13-7-2-1-3-8-13)18(23)15(16)20-11-4-5-12-20/h1-3,6-10,22H,4-5,11-12H2
InChIKey
ULGABHCZIJXUFO-UHFFFAOYSA-N
Compound name
4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

540
Patents

307.13208 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.139356 172.0
[M+Na]+ 330.121298 180.6
[M-H]- 306.124804 177.6
[M+NH4]+ 325.165903 184.4
[M+K]+ 346.095238 174.0
[M+H-H2O]+ 290.129340 161.4
[M+HCOO]- 352.130281 188.9
[M+CH3COO]- 366.145931 182.2
[M+Na-2H]- 328.106746 174.8
[M]+ 307.13153142 169.7
[M]- 307.13262858 169.7
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.