CID 771604

Dtxsid401143451

Structural Information

Molecular Formula
C17H14N2O2S
SMILES
CC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)C3=CC=CS3
InChI
InChI=1S/C17H14N2O2S/c1-11(16-7-4-8-22-16)18-19-17(21)14-9-12-5-2-3-6-13(12)10-15(14)20/h2-10,20H,1H3,(H,19,21)
InChIKey
CGLSATDULSZFJC-UHFFFAOYSA-N
Compound name
3-hydroxy-N-(1-thiophen-2-ylethylideneamino)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0776 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.084876 170.1
[M+Na]+ 333.066818 178.1
[M-H]- 309.070324 178.4
[M+NH4]+ 328.111423 187.5
[M+K]+ 349.040758 173.0
[M+H-H2O]+ 293.074860 162.9
[M+HCOO]- 355.075801 191.2
[M+CH3COO]- 369.091451 182.0
[M+Na-2H]- 331.052266 173.1
[M]+ 310.07705142 173.2
[M]- 310.07814858 173.2
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.