CID 59249

102207-85-2

Structural Information

Molecular Formula
C18H29N3O2
SMILES
CCN(CC)CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=O)C
InChI
InChI=1S/C18H29N3O2/c1-6-20(7-2)11-12-21(16(5)22)13-17(23)19-18-14(3)9-8-10-15(18)4/h8-10H,6-7,11-13H2,1-5H3,(H,19,23)
InChIKey
FNTXQCUKQNDHFU-UHFFFAOYSA-N
Compound name
2-[acetyl-[2-(diethylamino)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.22598 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.233256 182.4
[M+Na]+ 342.215198 185.6
[M-H]- 318.218704 188.0
[M+NH4]+ 337.259803 197.3
[M+K]+ 358.189138 185.3
[M+H-H2O]+ 302.223240 173.8
[M+HCOO]- 364.224181 206.8
[M+CH3COO]- 378.239831 225.3
[M+Na-2H]- 340.200646 181.2
[M]+ 319.22543142 186.6
[M]- 319.22652858 186.6
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

No patent data available for this compound.