CID 693084

3-({6-phenylthieno[2,3-d]pyrimidin-4-yl}amino)benzoic acid hydrochloride

Structural Information

Molecular Formula
C19H13N3O2S
SMILES
C1=CC=C(C=C1)C2=CC3=C(N=CN=C3S2)NC4=CC=CC(=C4)C(=O)O
InChI
InChI=1S/C19H13N3O2S/c23-19(24)13-7-4-8-14(9-13)22-17-15-10-16(12-5-2-1-3-6-12)25-18(15)21-11-20-17/h1-11H,(H,23,24)(H,20,21,22)
InChIKey
HKDXQXQGYQOLOD-UHFFFAOYSA-N
Compound name
3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

347.07285 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08013 177.1
[M+Na]+ 370.06207 192.9
[M+NH4]+ 365.10667 185.4
[M+K]+ 386.03601 184.7
[M-H]- 346.06557 183.4
[M+Na-2H]- 368.04752 187.7
[M]+ 347.07230 181.7
[M]- 347.07340 181.7
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.