CID 713013

Progranulin modulator-3

Structural Information

Molecular Formula
C18H12N2O3
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CO4
InChI
InChI=1S/C18H12N2O3/c21-17(16-7-4-10-22-16)19-13-8-9-15-14(11-13)20-18(23-15)12-5-2-1-3-6-12/h1-11H,(H,19,21)
InChIKey
YVAABBIEUQFOLE-UHFFFAOYSA-N
Compound name
N-(2-phenyl-1,3-benzoxazol-5-yl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

24
Patents

304.08478 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09206 166.6
[M+Na]+ 327.07400 175.9
[M-H]- 303.07750 178.6
[M+NH4]+ 322.11860 181.3
[M+K]+ 343.04794 173.8
[M+H-H2O]+ 287.08204 159.1
[M+HCOO]- 349.08298 191.3
[M+CH3COO]- 363.09863 179.8
[M+Na-2H]- 325.05945 172.2
[M]+ 304.08423 171.1
[M]- 304.08533 171.1
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

patents stripe