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]+ 320.23326 182.4
[M+Na]+ 342.21520 185.6
[M-H]- 318.21870 188.0
[M+NH4]+ 337.25980 197.3
[M+K]+ 358.18914 185.3
[M+H-H2O]+ 302.22324 173.8
[M+HCOO]- 364.22418 206.8
[M+CH3COO]- 378.23983 225.3
[M+Na-2H]- 340.20065 181.2
[M]+ 319.22543 186.6
[M]- 319.22653 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.