CID 72203382

N-(5-chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutane-1-carboxamide

Structural Information

Molecular Formula
C17H16ClNO3
SMILES
C1CC(C1)(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3O)O)Cl
InChI
InChI=1S/C17H16ClNO3/c18-12-9-13(15(21)10-14(12)20)19-16(22)17(7-4-8-17)11-5-2-1-3-6-11/h1-3,5-6,9-10,20-21H,4,7-8H2,(H,19,22)
InChIKey
BOHOWRMNYYPMPP-UHFFFAOYSA-N
Compound name
N-(5-chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

317.08188 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.089156 169.2
[M+Na]+ 340.071098 175.6
[M-H]- 316.074604 176.2
[M+NH4]+ 335.115703 178.3
[M+K]+ 356.045038 172.9
[M+H-H2O]+ 300.079140 157.6
[M+HCOO]- 362.080081 184.2
[M+CH3COO]- 376.095731 204.5
[M+Na-2H]- 338.056546 172.1
[M]+ 317.08133142 177.4
[M]- 317.08242858 177.4
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