CID 5276253

5-[2-(2-aminoanilino)thiazol-5-yl]-2-hydroxy-benzamide

Structural Information

Molecular Formula
C16H14N4O2S
SMILES
C1=CC=C(C(=C1)N)NC2=NC=C(S2)C3=CC(=C(C=C3)O)C(=O)N
InChI
InChI=1S/C16H14N4O2S/c17-11-3-1-2-4-12(11)20-16-19-8-14(23-16)9-5-6-13(21)10(7-9)15(18)22/h1-8,21H,17H2,(H2,18,22)(H,19,20)
InChIKey
ZPHXOZTXYPLGSF-UHFFFAOYSA-N
Compound name
5-[2-(2-aminoanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.08374 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09102 171.7
[M+Na]+ 349.07296 179.4
[M-H]- 325.07646 179.1
[M+NH4]+ 344.11756 184.6
[M+K]+ 365.04690 173.0
[M+H-H2O]+ 309.08100 163.4
[M+HCOO]- 371.08194 191.1
[M+CH3COO]- 385.09759 182.1
[M+Na-2H]- 347.05841 172.0
[M]+ 326.08319 170.1
[M]- 326.08429 170.1
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.