CID 42216

Cr 812

Structural Information

Molecular Formula
C26H34ClN3O3
SMILES
CCCCNC(=O)C(CC1=CC=C(C=C1)OCCN2CCCC2)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C26H34ClN3O3/c1-2-3-14-28-26(32)24(29-25(31)21-8-10-22(27)11-9-21)19-20-6-12-23(13-7-20)33-18-17-30-15-4-5-16-30/h6-13,24H,2-5,14-19H2,1H3,(H,28,32)(H,29,31)
InChIKey
GMAQGZBMSCEZAL-UHFFFAOYSA-N
Compound name
N-[1-(butylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.22888 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.23616 217.5
[M+Na]+ 494.21810 226.3
[M+NH4]+ 489.26270 222.5
[M+K]+ 510.19204 220.5
[M-H]- 470.22160 221.8
[M+Na-2H]- 492.20355 222.5
[M]+ 471.22833 219.8
[M]- 471.22943 219.8
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.