CID 42191

Cr 825

Structural Information

Molecular Formula
C28H39N3O3
SMILES
CCCCCCNC(=O)C(CC1=CC=C(C=C1)OCCN2CCCC2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C28H39N3O3/c1-2-3-4-8-17-29-28(33)26(30-27(32)24-11-6-5-7-12-24)22-23-13-15-25(16-14-23)34-21-20-31-18-9-10-19-31/h5-7,11-16,26H,2-4,8-10,17-22H2,1H3,(H,29,33)(H,30,32)
InChIKey
XGHASUHAFLNTKV-UHFFFAOYSA-N
Compound name
N-[1-(hexylamino)-1-oxo-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

465.29913 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.30641 220.3
[M+Na]+ 488.28835 227.3
[M+NH4]+ 483.33295 224.7
[M+K]+ 504.26229 221.9
[M-H]- 464.29185 224.3
[M+Na-2H]- 486.27380 224.9
[M]+ 465.29858 221.9
[M]- 465.29968 221.9
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

No patent data available for this compound.