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

literature stripe

Patent stripe

patents stripe