CID 205002

2-(butylamino)-n-(2,6-dimethyl-4-phenoxyphenyl)acetamide

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CCCCNCC(=O)NC1=C(C=C(C=C1C)OC2=CC=CC=C2)C
InChI
InChI=1S/C20H26N2O2/c1-4-5-11-21-14-19(23)22-20-15(2)12-18(13-16(20)3)24-17-9-7-6-8-10-17/h6-10,12-13,21H,4-5,11,14H2,1-3H3,(H,22,23)
InChIKey
ACHVLZYHSBVJGX-UHFFFAOYSA-N
Compound name
2-(butylamino)-N-(2,6-dimethyl-4-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.19943 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 180.8
[M+Na]+ 349.18865 185.7
[M-H]- 325.19215 187.1
[M+NH4]+ 344.23325 194.4
[M+K]+ 365.16259 181.6
[M+H-H2O]+ 309.19669 171.8
[M+HCOO]- 371.19763 204.8
[M+CH3COO]- 385.21328 216.9
[M+Na-2H]- 347.17410 183.0
[M]+ 326.19888 183.2
[M]- 326.19998 183.2
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

No patent data available for this compound.