CID 9618333

331461-72-4

Structural Information

Molecular Formula
C19H15FN2O2S
SMILES
C1=CSC(=C1)C(=O)N/N=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)F
InChI
InChI=1S/C19H15FN2O2S/c20-16-7-3-15(4-8-16)13-24-17-9-5-14(6-10-17)12-21-22-19(23)18-2-1-11-25-18/h1-12H,13H2,(H,22,23)/b21-12+
InChIKey
KYJHSKDKFGBNDD-CIAFOILYSA-N
Compound name
N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.08383 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09111 181.2
[M+Na]+ 377.07305 188.2
[M-H]- 353.07655 191.1
[M+NH4]+ 372.11765 196.0
[M+K]+ 393.04699 182.5
[M+H-H2O]+ 337.08109 171.4
[M+HCOO]- 399.08203 203.3
[M+CH3COO]- 413.09768 215.6
[M+Na-2H]- 375.05850 182.3
[M]+ 354.08328 183.5
[M]- 354.08438 183.5
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.