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 168.0
[M+Na]+ 328.07110 174.7
[M-H]- 304.07460 173.3
[M+NH4]+ 323.11570 182.7
[M+K]+ 344.04504 169.9
[M+H-H2O]+ 288.07914 161.2
[M+HCOO]- 350.08008 185.6
[M+CH3COO]- 364.09573 202.9
[M+Na-2H]- 326.05655 170.7
[M]+ 305.08133 170.7
[M]- 305.08243 170.7
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.