CID 59894

Benzamide, n-(2-(diethylamino)ethyl)-4-((2-methyl-1-oxopropyl)amino)-, ethanedioate (1:1)

Structural Information

Molecular Formula
C17H27N3O2
SMILES
CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C(C)C
InChI
InChI=1S/C17H27N3O2/c1-5-20(6-2)12-11-18-17(22)14-7-9-15(10-8-14)19-16(21)13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,22)(H,19,21)
InChIKey
KEOIYSCTJQNTMI-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-4-(2-methylpropanoylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

305.21033 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.21761 177.4
[M+Na]+ 328.19955 184.5
[M+NH4]+ 323.24415 182.8
[M+K]+ 344.17349 179.7
[M-H]- 304.20305 179.3
[M+Na-2H]- 326.18500 180.8
[M]+ 305.20978 178.4
[M]- 305.21088 178.4
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