CID 42182

Cr 821

Structural Information

Molecular Formula
C25H33N3O3
SMILES
CCCNC(=O)C(CC1=CC=C(C=C1)OCCN2CCCC2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C25H33N3O3/c1-2-14-26-25(30)23(27-24(29)21-8-4-3-5-9-21)19-20-10-12-22(13-11-20)31-18-17-28-15-6-7-16-28/h3-5,8-13,23H,2,6-7,14-19H2,1H3,(H,26,30)(H,27,29)
InChIKey
SGYIKCHLONDZSW-UHFFFAOYSA-N
Compound name
N-[1-oxo-1-(propylamino)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.2522 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.25948 204.9
[M+Na]+ 446.24142 204.0
[M-H]- 422.24492 211.2
[M+NH4]+ 441.28602 213.2
[M+K]+ 462.21536 200.0
[M+H-H2O]+ 406.24946 193.8
[M+HCOO]- 468.25040 223.5
[M+CH3COO]- 482.26605 230.7
[M+Na-2H]- 444.22687 202.3
[M]+ 423.25165 203.3
[M]- 423.25275 203.3
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.