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 217.7
[M+Na]+ 488.28835 215.4
[M-H]- 464.29185 223.4
[M+NH4]+ 483.33295 224.2
[M+K]+ 504.26229 210.7
[M+H-H2O]+ 448.29639 206.0
[M+HCOO]- 510.29733 235.2
[M+CH3COO]- 524.31298 239.4
[M+Na-2H]- 486.27380 213.5
[M]+ 465.29858 217.1
[M]- 465.29968 217.1
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.