CID 748328

2002-h20

Structural Information

Molecular Formula
C20H15N3O3
SMILES
C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)N)O
InChI
InChI=1S/C20H15N3O3/c21-13-7-5-12(6-8-13)19(25)22-14-9-10-17(24)15(11-14)20-23-16-3-1-2-4-18(16)26-20/h1-11,24H,21H2,(H,22,25)
InChIKey
NVVIQGMTHCUMFT-UHFFFAOYSA-N
Compound name
4-amino-N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

345.11133 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11861 179.2
[M+Na]+ 368.10055 188.0
[M-H]- 344.10405 188.9
[M+NH4]+ 363.14515 190.8
[M+K]+ 384.07449 183.2
[M+H-H2O]+ 328.10859 170.0
[M+HCOO]- 390.10953 202.2
[M+CH3COO]- 404.12518 190.4
[M+Na-2H]- 366.08600 184.1
[M]+ 345.11078 180.3
[M]- 345.11188 180.3
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.