CID 4532985

298215-35-7

Structural Information

Molecular Formula
C25H32N4O2
SMILES
C1CCN(C1)CC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)CN4CCCC4
InChI
InChI=1S/C25H32N4O2/c30-24(18-28-13-1-2-14-28)26-22-9-5-20(6-10-22)17-21-7-11-23(12-8-21)27-25(31)19-29-15-3-4-16-29/h5-12H,1-4,13-19H2,(H,26,30)(H,27,31)
InChIKey
YNNKKMKHXXUFLP-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

17
Patents

420.25253 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.25981 200.9
[M+Na]+ 443.24175 200.4
[M-H]- 419.24525 209.6
[M+NH4]+ 438.28635 209.7
[M+K]+ 459.21569 195.3
[M+H-H2O]+ 403.24979 189.4
[M+HCOO]- 465.25073 218.3
[M+CH3COO]- 479.26638 228.4
[M+Na-2H]- 441.22720 196.5
[M]+ 420.25198 195.1
[M]- 420.25308 195.1
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.