CID 25870

13326-29-9

Structural Information

Molecular Formula
C22H31N3
SMILES
CN(C)CCCC(CCCN(C)C)(C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C22H31N3/c1-24(2)16-8-14-22(18-23,15-9-17-25(3)4)21-13-7-11-19-10-5-6-12-20(19)21/h5-7,10-13H,8-9,14-17H2,1-4H3
InChIKey
CGJBJBVOFNCGRX-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-naphthalen-1-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2518 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.25908 191.3
[M+Na]+ 360.24102 196.9
[M-H]- 336.24452 195.6
[M+NH4]+ 355.28562 204.7
[M+K]+ 376.21496 192.0
[M+H-H2O]+ 320.24906 176.3
[M+HCOO]- 382.25000 208.9
[M+CH3COO]- 396.26565 234.6
[M+Na-2H]- 358.22647 193.7
[M]+ 337.25125 189.4
[M]- 337.25235 189.4
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.