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 217.2
[M+Na]+ 494.21810 217.7
[M-H]- 470.22160 223.6
[M+NH4]+ 489.26270 224.9
[M+K]+ 510.19204 211.8
[M+H-H2O]+ 454.22614 206.7
[M+HCOO]- 516.22708 230.9
[M+CH3COO]- 530.24273 238.2
[M+Na-2H]- 492.20355 212.8
[M]+ 471.22833 218.9
[M]- 471.22943 218.9
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