CID 166633571

Antiangiogenic agent

Structural Information

Molecular Formula
C15H10N2OS
SMILES
C1=CC=C2C(=C1)C(=C(S2)NC3=CC=C(C=C3)O)C#N
InChI
InChI=1S/C15H10N2OS/c16-9-13-12-3-1-2-4-14(12)19-15(13)17-10-5-7-11(18)8-6-10/h1-8,17-18H
InChIKey
VJSMIARUHXBSIJ-UHFFFAOYSA-N
Compound name
2-(4-hydroxyanilino)-1-benzothiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.0514 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.05868 169.3
[M+Na]+ 289.04062 182.6
[M-H]- 265.04412 175.6
[M+NH4]+ 284.08522 186.8
[M+K]+ 305.01456 174.3
[M+H-H2O]+ 249.04866 156.7
[M+HCOO]- 311.04960 186.3
[M+CH3COO]- 325.06525 180.5
[M+Na-2H]- 287.02607 172.3
[M]+ 266.05085 166.8
[M]- 266.05195 166.8
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.