CID 128898

67635-46-5

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

15
References

1824
Patents

291.19467 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 173.0
[M+Na]+ 314.18389 180.7
[M+NH4]+ 309.22849 178.6
[M+K]+ 330.15783 175.8
[M-H]- 290.18739 175.1
[M+Na-2H]- 312.16934 176.3
[M]+ 291.19412 174.2
[M]- 291.19522 174.2
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