CID 11402489

Procainamide n-oxide dihydrochloride

Structural Information

Molecular Formula
C13H21N3O2
SMILES
CC[N+](CC)(CCNC(=O)C1=CC=C(C=C1)N)[O-]
InChI
InChI=1S/C13H21N3O2/c1-3-16(18,4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
InChIKey
XZUBTFJLMSLSFU-UHFFFAOYSA-N
Compound name
2-[(4-aminobenzoyl)amino]-N,N-diethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.16338 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17066 155.8
[M+Na]+ 274.15260 159.9
[M-H]- 250.15610 158.5
[M+NH4]+ 269.19720 171.7
[M+K]+ 290.12654 153.0
[M+H-H2O]+ 234.16064 153.8
[M+HCOO]- 296.16158 179.9
[M+CH3COO]- 310.17723 194.3
[M+Na-2H]- 272.13805 162.9
[M]+ 251.16283 152.9
[M]- 251.16393 152.9
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

patents stripe