CID 9971540

Gea-968

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CCN(CC)CC(=O)NCC(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C16H25N3O2/c1-5-19(6-2)11-15(21)17-10-14(20)18-16-12(3)8-7-9-13(16)4/h7-9H,5-6,10-11H2,1-4H3,(H,17,21)(H,18,20)
InChIKey
JLXLGSBBWQVJNN-UHFFFAOYSA-N
Compound name
2-[[2-(diethylamino)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

291.19467 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.201946 173.1
[M+Na]+ 314.183888 176.9
[M-H]- 290.187394 177.6
[M+NH4]+ 309.228493 188.5
[M+K]+ 330.157828 175.7
[M+H-H2O]+ 274.191930 165.0
[M+HCOO]- 336.192871 197.6
[M+CH3COO]- 350.208521 216.0
[M+Na-2H]- 312.169336 173.7
[M]+ 291.19412142 175.2
[M]- 291.19521858 175.2
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