CID 1365488

Chembl264263

Structural Information

Molecular Formula
C24H16N2O3
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC(=C(C=C3)O)C4=NC5=CC=CC=C5O4
InChI
InChI=1S/C24H16N2O3/c27-21-13-12-16(14-19(21)24-26-20-10-3-4-11-22(20)29-24)25-23(28)18-9-5-7-15-6-1-2-8-17(15)18/h1-14,27H,(H,25,28)
InChIKey
FPPUKUDOEJNHFQ-UHFFFAOYSA-N
Compound name
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

380.1161 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.12338 188.5
[M+Na]+ 403.10532 197.5
[M-H]- 379.10882 199.1
[M+NH4]+ 398.14992 199.8
[M+K]+ 419.07926 191.8
[M+H-H2O]+ 363.11336 178.6
[M+HCOO]- 425.11430 209.1
[M+CH3COO]- 439.12995 199.1
[M+Na-2H]- 401.09077 194.2
[M]+ 380.11555 191.0
[M]- 380.11665 191.0
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

patents stripe