CID 3010834

Schembl6692123

Structural Information

Molecular Formula
C21H22ClN3O4
SMILES
CN1C=C(C(=O)C2=C1N=C(C(=C2)CCCO)OC)C(=O)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H22ClN3O4/c1-25-12-17(20(28)23-11-13-5-7-15(22)8-6-13)18(27)16-10-14(4-3-9-26)21(29-2)24-19(16)25/h5-8,10,12,26H,3-4,9,11H2,1-2H3,(H,23,28)
InChIKey
AWOARZTZSKIEAW-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-7-methoxy-1-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

415.12988 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.13716 197.6
[M+Na]+ 438.11910 206.9
[M-H]- 414.12260 201.6
[M+NH4]+ 433.16370 206.6
[M+K]+ 454.09304 200.4
[M+H-H2O]+ 398.12714 188.0
[M+HCOO]- 460.12808 211.5
[M+CH3COO]- 474.14373 226.6
[M+Na-2H]- 436.10455 199.5
[M]+ 415.12933 204.5
[M]- 415.13043 204.5
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.