CID 25871

13326-32-4

Structural Information

Molecular Formula
C26H39N3
SMILES
CCN(CC)CCCC(CCCN(CC)CC)(C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C26H39N3/c1-5-28(6-2)20-12-18-26(22-27,19-13-21-29(7-3)8-4)25-17-11-15-23-14-9-10-16-24(23)25/h9-11,14-17H,5-8,12-13,18-21H2,1-4H3
InChIKey
JAYUFFNKSCTAJV-UHFFFAOYSA-N
Compound name
5-(diethylamino)-2-[3-(diethylamino)propyl]-2-naphthalen-1-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.3144 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.32168 206.2
[M+Na]+ 416.30362 215.7
[M+NH4]+ 411.34822 210.1
[M+K]+ 432.27756 203.5
[M-H]- 392.30712 202.6
[M+Na-2H]- 414.28907 208.2
[M]+ 393.31385 205.8
[M]- 393.31495 205.8
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.