CID 2109210

1135231-62-7

Structural Information

Molecular Formula
C20H25N3O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CNCC(=O)NC2=C(C=CC=C2C)C
InChI
InChI=1S/C20H25N3O2/c1-13-7-5-8-14(2)19(13)22-17(24)11-21-12-18(25)23-20-15(3)9-6-10-16(20)4/h5-10,21H,11-12H2,1-4H3,(H,22,24)(H,23,25)
InChIKey
UMQJGNLKESQUOD-UHFFFAOYSA-N
Compound name
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

339.19467 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.201946 184.3
[M+Na]+ 362.183888 189.3
[M-H]- 338.187394 191.1
[M+NH4]+ 357.228493 197.2
[M+K]+ 378.157828 185.4
[M+H-H2O]+ 322.191930 175.4
[M+HCOO]- 384.192871 208.4
[M+CH3COO]- 398.208521 223.0
[M+Na-2H]- 360.169336 185.0
[M]+ 339.19412142 185.0
[M]- 339.19521858 185.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe