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
6
Annotation Hits

40
References

156
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

patents stripe