CID 9919680

Mk-0873

Structural Information

Molecular Formula
C25H18N4O3
SMILES
C1CC1NC(=O)C2=CN(C3=C(C2=O)C=CC=N3)C4=CC=CC(=C4)C#CC5=C[N+](=CC=C5)[O-]
InChI
InChI=1S/C25H18N4O3/c30-23-21-7-2-12-26-24(21)29(16-22(23)25(31)27-19-10-11-19)20-6-1-4-17(14-20)8-9-18-5-3-13-28(32)15-18/h1-7,12-16,19H,10-11H2,(H,27,31)
InChIKey
JJWKQXNHYDJXKF-UHFFFAOYSA-N
Compound name
N-cyclopropyl-1-[3-[2-(1-oxidopyridin-1-ium-3-yl)ethynyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

106
Patents

422.13788 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14516 208.6
[M+Na]+ 445.12710 226.6
[M+NH4]+ 440.17170 212.5
[M+K]+ 461.10104 217.2
[M-H]- 421.13060 214.1
[M+Na-2H]- 443.11255 216.2
[M]+ 422.13733 213.1
[M]- 422.13843 213.1
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