CID 204849

A 1312

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CCCCNCC(=O)NC1=C(C=C(C=C1C)OCCC2=CC=CC=C2)C
InChI
InChI=1S/C22H30N2O2/c1-4-5-12-23-16-21(25)24-22-17(2)14-20(15-18(22)3)26-13-11-19-9-7-6-8-10-19/h6-10,14-15,23H,4-5,11-13,16H2,1-3H3,(H,24,25)
InChIKey
CXGSMJVTKPPESW-UHFFFAOYSA-N
Compound name
2-(butylamino)-N-[2,6-dimethyl-4-(2-phenylethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 189.8
[M+Na]+ 377.219958 193.8
[M-H]- 353.223464 195.6
[M+NH4]+ 372.264563 202.2
[M+K]+ 393.193898 189.2
[M+H-H2O]+ 337.228000 180.4
[M+HCOO]- 399.228941 213.1
[M+CH3COO]- 413.244591 222.9
[M+Na-2H]- 375.205406 190.9
[M]+ 354.23019142 192.8
[M]- 354.23128858 192.8
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.