CID 16355619

2-({6-phenylthieno[2,3-d]pyrimidin-4-yl}oxy)benzamide

Structural Information

Molecular Formula
C19H13N3O2S
SMILES
C1=CC=C(C=C1)C2=CC3=C(N=CN=C3S2)OC4=CC=CC=C4C(=O)N
InChI
InChI=1S/C19H13N3O2S/c20-17(23)13-8-4-5-9-15(13)24-18-14-10-16(12-6-2-1-3-7-12)25-19(14)22-11-21-18/h1-11H,(H2,20,23)
InChIKey
BUTUEEDQQJIWDQ-UHFFFAOYSA-N
Compound name
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

347.07285 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08013 178.5
[M+Na]+ 370.06207 188.8
[M-H]- 346.06557 187.4
[M+NH4]+ 365.10667 191.6
[M+K]+ 386.03601 182.2
[M+H-H2O]+ 330.07011 169.5
[M+HCOO]- 392.07105 197.1
[M+CH3COO]- 406.08670 189.8
[M+Na-2H]- 368.04752 181.7
[M]+ 347.07230 182.2
[M]- 347.07340 182.2
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

patents stripe