CID 203598

14722-19-1

Structural Information

Molecular Formula
C25H39N3O
SMILES
CCCNC(=O)C(CCCN(C)C)(CCCN(C)C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C25H39N3O/c1-6-18-26-24(29)25(16-10-19-27(2)3,17-11-20-28(4)5)23-15-9-13-21-12-7-8-14-22(21)23/h7-9,12-15H,6,10-11,16-20H2,1-5H3,(H,26,29)
InChIKey
YDECXFQHVLLUHV-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-naphthalen-1-yl-N-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.30933 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.31661 205.5
[M+Na]+ 420.29855 206.2
[M-H]- 396.30205 210.4
[M+NH4]+ 415.34315 217.8
[M+K]+ 436.27249 203.7
[M+H-H2O]+ 380.30659 196.0
[M+HCOO]- 442.30753 226.2
[M+CH3COO]- 456.32318 241.1
[M+Na-2H]- 418.28400 206.9
[M]+ 397.30878 209.9
[M]- 397.30988 209.9
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.