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]+ 338.259076 191.3
[M+Na]+ 360.241018 196.9
[M-H]- 336.244524 195.6
[M+NH4]+ 355.285623 204.7
[M+K]+ 376.214958 192.0
[M+H-H2O]+ 320.249060 176.3
[M+HCOO]- 382.250001 208.9
[M+CH3COO]- 396.265651 234.6
[M+Na-2H]- 358.226466 193.7
[M]+ 337.25125142 189.4
[M]- 337.25234858 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.