CID 198415

4-hydroxy-n-(2-diethylaminoethyl)benzamide

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CCN(CC)CCNC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C13H20N2O2/c1-3-15(4-2)10-9-14-13(17)11-5-7-12(16)8-6-11/h5-8,16H,3-4,9-10H2,1-2H3,(H,14,17)
InChIKey
ROIPQARTTVUKGN-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-4-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

236.15248 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.4
[M+Na]+ 259.14170 161.0
[M-H]- 235.14520 159.6
[M+NH4]+ 254.18630 173.5
[M+K]+ 275.11564 159.5
[M+H-H2O]+ 219.14974 149.2
[M+HCOO]- 281.15068 180.3
[M+CH3COO]- 295.16633 198.6
[M+Na-2H]- 257.12715 159.8
[M]+ 236.15193 157.4
[M]- 236.15303 157.4
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