CID 42190

Cr 786

Structural Information

Molecular Formula
C26H37N3O3
SMILES
CCCCNC(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C26H37N3O3/c1-4-7-17-27-26(31)24(28-25(30)22-11-9-8-10-12-22)20-21-13-15-23(16-14-21)32-19-18-29(5-2)6-3/h8-16,24H,4-7,17-20H2,1-3H3,(H,27,31)(H,28,30)
InChIKey
QUIWYJNJVWDLQV-UHFFFAOYSA-N
Compound name
N-[1-(butylamino)-3-[4-[2-(diethylamino)ethoxy]phenyl]-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.28348 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.29076 213.7
[M+Na]+ 462.27270 221.3
[M+NH4]+ 457.31730 218.2
[M+K]+ 478.24664 214.5
[M-H]- 438.27620 217.6
[M+Na-2H]- 460.25815 218.6
[M]+ 439.28293 215.4
[M]- 439.28403 215.4
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.