CID 6320653

Schembl6695909

Structural Information

Molecular Formula
C17H14ClN3O3
SMILES
CN1C=C(C(=O)C2=C1NC(=O)C=C2)C(=O)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H14ClN3O3/c1-21-9-13(15(23)12-6-7-14(22)20-16(12)21)17(24)19-8-10-2-4-11(18)5-3-10/h2-7,9H,8H2,1H3,(H,19,24)(H,20,22)
InChIKey
LBESUOBUJYGYIG-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-1-methyl-4,7-dioxo-8H-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

343.07236 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.07964 176.2
[M+Na]+ 366.06158 187.1
[M-H]- 342.06508 180.7
[M+NH4]+ 361.10618 188.1
[M+K]+ 382.03552 179.8
[M+H-H2O]+ 326.06962 167.6
[M+HCOO]- 388.07056 191.6
[M+CH3COO]- 402.08621 210.7
[M+Na-2H]- 364.04703 180.8
[M]+ 343.07181 179.3
[M]- 343.07291 179.3
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.