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 178.3
[M+Na]+ 328.19955 180.5
[M-H]- 304.20305 182.3
[M+NH4]+ 323.24415 192.7
[M+K]+ 344.17349 179.6
[M+H-H2O]+ 288.20759 169.9
[M+HCOO]- 350.20853 201.5
[M+CH3COO]- 364.22418 218.6
[M+Na-2H]- 326.18500 177.8
[M]+ 305.20978 179.8
[M]- 305.21088 179.8
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