CID 5276333

Schembl6694881

Structural Information

Molecular Formula
C21H20ClN3O5
SMILES
CCOC(=O)C1=C(N=C2C(=C1)C(=O)C(=CN2C)C(=O)NCC3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C21H20ClN3O5/c1-4-30-21(28)15-9-14-17(26)16(11-25(2)18(14)24-20(15)29-3)19(27)23-10-12-5-7-13(22)8-6-12/h5-9,11H,4,10H2,1-3H3,(H,23,27)
InChIKey
XVZOYBWLHWWUFL-UHFFFAOYSA-N
Compound name
ethyl 6-[(4-chlorophenyl)methylcarbamoyl]-2-methoxy-8-methyl-5-oxo-1,8-naphthyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

429.10916 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.11644 198.3
[M+Na]+ 452.09838 207.8
[M-H]- 428.10188 203.9
[M+NH4]+ 447.14298 207.2
[M+K]+ 468.07232 202.9
[M+H-H2O]+ 412.10642 188.5
[M+HCOO]- 474.10736 213.1
[M+CH3COO]- 488.12301 230.6
[M+Na-2H]- 450.08383 199.7
[M]+ 429.10861 207.0
[M]- 429.10971 207.0
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