CID 177287

174661-97-3

Structural Information

Molecular Formula
C22H30N2O3
SMILES
CC1=C(C=C(C=C1)CCCNC(=O)CC2=CC(=C(C=C2)OCCN)OC)C
InChI
InChI=1S/C22H30N2O3/c1-16-6-7-18(13-17(16)2)5-4-11-24-22(25)15-19-8-9-20(27-12-10-23)21(14-19)26-3/h6-9,13-14H,4-5,10-12,15,23H2,1-3H3,(H,24,25)
InChIKey
VVMIHZHLNJMAQP-UHFFFAOYSA-N
Compound name
2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

295
Patents

370.22565 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23293 194.2
[M+Na]+ 393.21487 205.4
[M+NH4]+ 388.25947 200.2
[M+K]+ 409.18881 197.8
[M-H]- 369.21837 198.6
[M+Na-2H]- 391.20032 199.9
[M]+ 370.22510 196.9
[M]- 370.22620 196.9
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