CID 481507

Chembl65757

Structural Information

Molecular Formula
C21H15N3O5S
SMILES
COC1=CC2=CC(=C(C=C2C=C1)O)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H15N3O5S/c1-29-16-6-5-12-10-19(25)17(9-14(12)8-16)20(26)23-21-22-18(11-30-21)13-3-2-4-15(7-13)24(27)28/h2-11,25H,1H3,(H,22,23,26)
InChIKey
UGZIZVNAMYQDDG-UHFFFAOYSA-N
Compound name
3-hydroxy-7-methoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.07324 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.08052 194.2
[M+Na]+ 444.06246 200.8
[M-H]- 420.06596 203.4
[M+NH4]+ 439.10706 203.8
[M+K]+ 460.03640 191.2
[M+H-H2O]+ 404.07050 189.4
[M+HCOO]- 466.07144 212.9
[M+CH3COO]- 480.08709 217.9
[M+Na-2H]- 442.04791 198.7
[M]+ 421.07269 197.0
[M]- 421.07379 197.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.