CID 4342

N-acetylprocainamide

Structural Information

Molecular Formula
C15H23N3O2
SMILES
CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C15H23N3O2/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19)
InChIKey
KEECCEWTUVWFCV-UHFFFAOYSA-N
Compound name
4-acetamido-N-[2-(diethylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

314
References

5108
Patents

277.17902 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.186296 168.6
[M+Na]+ 300.168238 171.9
[M-H]- 276.171744 172.9
[M+NH4]+ 295.212843 184.3
[M+K]+ 316.142178 170.9
[M+H-H2O]+ 260.176280 160.4
[M+HCOO]- 322.177221 193.5
[M+CH3COO]- 336.192871 211.7
[M+Na-2H]- 298.153686 170.5
[M]+ 277.17847142 170.0
[M]- 277.17956858 170.0
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