CID 197959

17579-41-8

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CCC(=O)NC1=CC=C(C=C1)C(=O)NCCN(CC)CC
InChI
InChI=1S/C16H25N3O2/c1-4-15(20)18-14-9-7-13(8-10-14)16(21)17-11-12-19(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,21)(H,18,20)
InChIKey
CTHPVGZIOICAFO-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-4-(propanoylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

87
Patents

291.19467 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 173.2
[M+Na]+ 314.18389 176.1
[M-H]- 290.18739 177.3
[M+NH4]+ 309.22849 188.2
[M+K]+ 330.15783 174.8
[M+H-H2O]+ 274.19193 164.8
[M+HCOO]- 336.19287 197.7
[M+CH3COO]- 350.20852 214.7
[M+Na-2H]- 312.16934 174.5
[M]+ 291.19412 174.9
[M]- 291.19522 174.9
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