CID 54680204

Pirodomast

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
1
Annotation Hits

7
References

471
Patents

307.13208 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 172.0
[M+Na]+ 330.12130 180.6
[M-H]- 306.12480 177.6
[M+NH4]+ 325.16590 184.4
[M+K]+ 346.09524 174.0
[M+H-H2O]+ 290.12934 161.4
[M+HCOO]- 352.13028 188.9
[M+CH3COO]- 366.14593 182.2
[M+Na-2H]- 328.10675 174.8
[M]+ 307.13153 169.7
[M]- 307.13263 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

literature stripe

Patent stripe

patents stripe