CID 68865

Propacetamol

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCN(CC)CC(=O)OC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C14H20N2O3/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17/h6-9H,4-5,10H2,1-3H3,(H,15,17)
InChIKey
QTGAJCQTLIRCFL-UHFFFAOYSA-N
Compound name
(4-acetamidophenyl) 2-(diethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

132
References

2573
Patents

264.1474 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 162.8
[M+Na]+ 287.13662 167.4
[M-H]- 263.14012 167.4
[M+NH4]+ 282.18122 179.4
[M+K]+ 303.11056 167.1
[M+H-H2O]+ 247.14466 155.2
[M+HCOO]- 309.14560 187.3
[M+CH3COO]- 323.16125 205.7
[M+Na-2H]- 285.12207 165.0
[M]+ 264.14685 166.1
[M]- 264.14795 166.1
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

patents stripe