CID 11168182

864741-95-7

Structural Information

Molecular Formula
C34H45N3O
SMILES
CN(C)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)CNCCC3=CC=CC=C3)C(=O)CCC4CCCC4
InChI
InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3
InChIKey
SEQAMPXQRKYYQF-UHFFFAOYSA-N
Compound name
3-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

511.35626 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.36354 237.4
[M+Na]+ 534.34548 247.4
[M+NH4]+ 529.39008 244.3
[M+K]+ 550.31942 238.7
[M-H]- 510.34898 247.4
[M+Na-2H]- 532.33093 246.3
[M]+ 511.35571 241.5
[M]- 511.35681 241.5
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

No patent data available for this compound.