CID 42203

Cr 826

Structural Information

Molecular Formula
C29H41N3O3
SMILES
CCCCCCNC(=O)C(CC1=CC=C(C=C1)OCCN2CCCC2)NC(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C29H41N3O3/c1-3-4-5-6-17-30-29(34)27(31-28(33)25-13-9-23(2)10-14-25)22-24-11-15-26(16-12-24)35-21-20-32-18-7-8-19-32/h9-16,27H,3-8,17-22H2,1-2H3,(H,30,34)(H,31,33)
InChIKey
CUSBWBKXZPGKAS-UHFFFAOYSA-N
Compound name
N-[1-(hexylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.3148 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.32208 224.6
[M+Na]+ 502.30402 231.8
[M+NH4]+ 497.34862 228.8
[M+K]+ 518.27796 226.3
[M-H]- 478.30752 228.7
[M+Na-2H]- 500.28947 228.7
[M]+ 479.31425 226.2
[M]- 479.31535 226.2
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.