CID 42214

Cr 729

Structural Information

Molecular Formula
C26H36ClN3O3
SMILES
CCCCNC(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C26H36ClN3O3/c1-4-7-16-28-26(32)24(29-25(31)21-10-12-22(27)13-11-21)19-20-8-14-23(15-9-20)33-18-17-30(5-2)6-3/h8-15,24H,4-7,16-19H2,1-3H3,(H,28,32)(H,29,31)
InChIKey
IUJWBGUKNJQHCH-UHFFFAOYSA-N
Compound name
N-[1-(butylamino)-3-[4-[2-(diethylamino)ethoxy]phenyl]-1-oxopropan-2-yl]-4-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

473.2445 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.25178 220.0
[M+Na]+ 496.23372 228.9
[M+NH4]+ 491.27832 224.8
[M+K]+ 512.20766 221.3
[M-H]- 472.23722 224.0
[M+Na-2H]- 494.21917 224.7
[M]+ 473.24395 222.4
[M]- 473.24505 222.4
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

patents stripe