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

22
Patents

305.21033 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.217606 178.3
[M+Na]+ 328.199548 180.5
[M-H]- 304.203054 182.3
[M+NH4]+ 323.244153 192.7
[M+K]+ 344.173488 179.6
[M+H-H2O]+ 288.207590 169.9
[M+HCOO]- 350.208531 201.5
[M+CH3COO]- 364.224181 218.6
[M+Na-2H]- 326.184996 177.8
[M]+ 305.20978142 179.8
[M]- 305.21087858 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