CID 198228

5-chloro-n-(3-hydroxypropyl)salicylanilide

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]+ 306.089156 168.0
[M+Na]+ 328.071098 174.7
[M-H]- 304.074604 173.3
[M+NH4]+ 323.115703 182.7
[M+K]+ 344.045038 169.9
[M+H-H2O]+ 288.079140 161.2
[M+HCOO]- 350.080081 185.6
[M+CH3COO]- 364.095731 202.9
[M+Na-2H]- 326.056546 170.7
[M]+ 305.08133142 170.7
[M]- 305.08242858 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.