CID 3086478

Cr 1034

Structural Information

Molecular Formula
C25H35N3O3
SMILES
CCCNC(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C25H35N3O3/c1-4-16-26-25(30)23(27-24(29)21-10-8-7-9-11-21)19-20-12-14-22(15-13-20)31-18-17-28(5-2)6-3/h7-15,23H,4-6,16-19H2,1-3H3,(H,26,30)(H,27,29)
InChIKey
MYSYSIHJFCVQGR-UHFFFAOYSA-N
Compound name
N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-oxo-1-(propylamino)propan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.26785 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.27513 209.6
[M+Na]+ 448.25707 209.1
[M-H]- 424.26057 215.5
[M+NH4]+ 443.30167 218.3
[M+K]+ 464.23101 206.7
[M+H-H2O]+ 408.26511 198.7
[M+HCOO]- 470.26605 231.6
[M+CH3COO]- 484.28170 240.1
[M+Na-2H]- 446.24252 208.0
[M]+ 425.26730 212.7
[M]- 425.26840 212.7
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.