CID 198228

41220-64-8

Structural Information

Molecular Formula
C16H16ClNO3
SMILES
C1=CC=C(C=C1)N(CCCO)C(=O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C16H16ClNO3/c17-12-7-8-15(20)14(11-12)16(21)18(9-4-10-19)13-5-2-1-3-6-13/h1-3,5-8,11,19-20H,4,9-10H2
InChIKey
ADGJNSAOJYGYDD-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxy-N-(3-hydroxypropyl)-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.08188 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08916 168.9
[M+Na]+ 328.07110 182.2
[M+NH4]+ 323.11570 176.4
[M+K]+ 344.04504 175.2
[M-H]- 304.07460 172.7
[M+Na-2H]- 326.05655 176.6
[M]+ 305.08133 172.1
[M]- 305.08243 172.1
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

No patent data available for this compound.