CID 3082615

111252-13-2

Structural Information

Molecular Formula
C11H15ClN2O2
SMILES
C1=CC(=CC=C1C(=O)NCCNCCO)Cl
InChI
InChI=1S/C11H15ClN2O2/c12-10-3-1-9(2-4-10)11(16)14-6-5-13-7-8-15/h1-4,13,15H,5-8H2,(H,14,16)
InChIKey
SPHJOGBBUGIRAM-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3
Patents

242.0822 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08948 153.2
[M+Na]+ 265.07142 159.2
[M-H]- 241.07492 155.1
[M+NH4]+ 260.11602 170.3
[M+K]+ 281.04536 154.8
[M+H-H2O]+ 225.07946 147.5
[M+HCOO]- 287.08040 172.7
[M+CH3COO]- 301.09605 193.0
[M+Na-2H]- 263.05687 157.9
[M]+ 242.08165 154.3
[M]- 242.08275 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.