CID 17770

2810-20-0

Structural Information

Molecular Formula
C20H27N3
SMILES
CN(C)CCC(CCN(C)C)(C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C20H27N3/c1-22(2)14-12-20(16-21,13-15-23(3)4)19-11-7-9-17-8-5-6-10-18(17)19/h5-11H,12-15H2,1-4H3
InChIKey
XWPNRSURJHKLRM-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.2205 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.22778 183.3
[M+Na]+ 332.20972 189.7
[M-H]- 308.21322 188.1
[M+NH4]+ 327.25432 197.8
[M+K]+ 348.18366 185.3
[M+H-H2O]+ 292.21776 168.7
[M+HCOO]- 354.21870 201.5
[M+CH3COO]- 368.23435 229.3
[M+Na-2H]- 330.19517 186.7
[M]+ 309.21995 180.9
[M]- 309.22105 180.9
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.