CID 5276330

Schembl6699737

Structural Information

Molecular Formula
C18H15ClIN3O3
SMILES
CN1C=C(C(=O)C2=CC(=C(N=C21)OC)I)C(=O)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H15ClIN3O3/c1-23-9-13(17(25)21-8-10-3-5-11(19)6-4-10)15(24)12-7-14(20)18(26-2)22-16(12)23/h3-7,9H,8H2,1-2H3,(H,21,25)
InChIKey
GFSWQNIEKORBOY-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-6-iodo-7-methoxy-1-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

482.98468 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.99196 189.2
[M+Na]+ 505.97390 192.9
[M-H]- 481.97740 187.5
[M+NH4]+ 501.01850 196.0
[M+K]+ 521.94784 192.8
[M+H-H2O]+ 465.98194 176.3
[M+HCOO]- 527.98288 200.4
[M+CH3COO]- 541.99853 226.7
[M+Na-2H]- 503.95935 181.4
[M]+ 482.98413 192.4
[M]- 482.98523 192.4
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

patents stripe