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]+ 311.08488 170.1
[M+Na]+ 333.06682 178.1
[M-H]- 309.07032 178.4
[M+NH4]+ 328.11142 187.5
[M+K]+ 349.04076 173.0
[M+H-H2O]+ 293.07486 162.9
[M+HCOO]- 355.07580 191.2
[M+CH3COO]- 369.09145 182.0
[M+Na-2H]- 331.05227 173.1
[M]+ 310.07705 173.2
[M]- 310.07815 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.