CID 128898

4-amino-2-[2-(diethylamino)ethyl]-n-propanoylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1018
Patents

291.19467 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.201946 173.5
[M+Na]+ 314.183888 177.4
[M-H]- 290.187394 177.5
[M+NH4]+ 309.228493 188.6
[M+K]+ 330.157828 175.8
[M+H-H2O]+ 274.191930 165.4
[M+HCOO]- 336.192871 197.4
[M+CH3COO]- 350.208521 215.4
[M+Na-2H]- 312.169336 173.0
[M]+ 291.19412142 174.6
[M]- 291.19521858 174.6
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