CID 151400

N-acetylprocaine

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C15H22N2O3/c1-4-17(5-2)10-11-20-15(19)13-6-8-14(9-7-13)16-12(3)18/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKey
YMABTXMPJQRLCQ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-acetamidobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

278.16306 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 167.5
[M+Na]+ 301.15228 171.6
[M-H]- 277.15578 171.8
[M+NH4]+ 296.19688 183.4
[M+K]+ 317.12622 171.1
[M+H-H2O]+ 261.16032 159.6
[M+HCOO]- 323.16126 191.7
[M+CH3COO]- 337.17691 208.7
[M+Na-2H]- 299.13773 169.1
[M]+ 278.16251 171.1
[M]- 278.16361 171.1
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