CID 17397714

Crofelemer

Structural Information

Molecular Formula
C18H16N2O3
SMILES
COC1=CC=CC=C1CNC(=O)C2=NOC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O3/c1-22-16-10-6-5-9-14(16)12-19-18(21)15-11-17(23-20-15)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,19,21)
InChIKey
JDNAIBCYTQGWFC-UHFFFAOYSA-N
Compound name
N-[(2-methoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

40
References

0
Patents

308.1161 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 171.0
[M+Na]+ 331.10532 177.9
[M-H]- 307.10882 180.4
[M+NH4]+ 326.14992 184.0
[M+K]+ 347.07926 175.1
[M+H-H2O]+ 291.11336 161.6
[M+HCOO]- 353.11430 194.7
[M+CH3COO]- 367.12995 205.3
[M+Na-2H]- 329.09077 175.2
[M]+ 308.11555 173.6
[M]- 308.11665 173.6
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.