CID 1051884

348621-77-2

Structural Information

Molecular Formula
C19H14N2O3S
SMILES
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=CC=CC=C4OC3=O)C#N
InChI
InChI=1S/C19H14N2O3S/c20-10-14-12-6-2-4-8-16(12)25-18(14)21-17(22)13-9-11-5-1-3-7-15(11)24-19(13)23/h1,3,5,7,9H,2,4,6,8H2,(H,21,22)
InChIKey
ZVDIYVQYMHKYBT-UHFFFAOYSA-N
Compound name
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0725 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.07978 179.3
[M+Na]+ 373.06172 192.4
[M+NH4]+ 368.10632 184.5
[M+K]+ 389.03566 181.7
[M-H]- 349.06522 177.9
[M+Na-2H]- 371.04717 182.5
[M]+ 350.07195 180.5
[M]- 350.07305 180.5
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.