CID 54680316

Mk-0536

Structural Information

Molecular Formula
C21H23ClFN3O4
SMILES
CC(C)N1C(=C2CCN(C(=O)C2=C(C1=O)O)CC3=CC(=C(C=C3)F)Cl)C(=O)N(C)C
InChI
InChI=1S/C21H23ClFN3O4/c1-11(2)26-17(20(29)24(3)4)13-7-8-25(19(28)16(13)18(27)21(26)30)10-12-5-6-15(23)14(22)9-12/h5-6,9,11,27H,7-8,10H2,1-4H3
InChIKey
HFCJYZIWLQSWGP-UHFFFAOYSA-N
Compound name
6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-2-propan-2-yl-7,8-dihydro-2,6-naphthyridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

435.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.14338 199.3
[M+Na]+ 458.12532 208.7
[M-H]- 434.12882 203.5
[M+NH4]+ 453.16992 208.4
[M+K]+ 474.09926 203.6
[M+H-H2O]+ 418.13336 189.9
[M+HCOO]- 480.13430 209.1
[M+CH3COO]- 494.14995 236.2
[M+Na-2H]- 456.11077 195.8
[M]+ 435.13555 203.4
[M]- 435.13665 203.4
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

No patent data available for this compound.