CID 508732

2-naphthalenecarboxamide, n-[3-[[(3r)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-3-oxopropyl]-

Structural Information

Molecular Formula
C25H26ClN3O2
SMILES
C1CN(C[C@@H]1NC(=O)CCNC(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H26ClN3O2/c26-22-9-5-18(6-10-22)16-29-14-12-23(17-29)28-24(30)11-13-27-25(31)21-8-7-19-3-1-2-4-20(19)15-21/h1-10,15,23H,11-14,16-17H2,(H,27,31)(H,28,30)/t23-/m1/s1
InChIKey
KKTWDQYOFRTYIM-HSZRJFAPSA-N
Compound name
N-[3-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.17136 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.17864 205.6
[M+Na]+ 458.16058 209.3
[M-H]- 434.16408 213.6
[M+NH4]+ 453.20518 216.0
[M+K]+ 474.13452 201.9
[M+H-H2O]+ 418.16862 195.5
[M+HCOO]- 480.16956 220.1
[M+CH3COO]- 494.18521 213.0
[M+Na-2H]- 456.14603 204.9
[M]+ 435.17081 205.4
[M]- 435.17191 205.4
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.