CID 23164

6699-18-9

Structural Information

Molecular Formula
C22H30N2
SMILES
CCN(CC)CCCC(C#N)(C1=CC=CC2=CC=CC=C21)C(C)C
InChI
InChI=1S/C22H30N2/c1-5-24(6-2)16-10-15-22(17-23,18(3)4)21-14-9-12-19-11-7-8-13-20(19)21/h7-9,11-14,18H,5-6,10,15-16H2,1-4H3
InChIKey
MJRCSPPJFWJOQU-UHFFFAOYSA-N
Compound name
5-(diethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2409 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.24818 187.9
[M+Na]+ 345.23012 194.2
[M-H]- 321.23362 191.3
[M+NH4]+ 340.27472 201.8
[M+K]+ 361.20406 188.3
[M+H-H2O]+ 305.23816 173.7
[M+HCOO]- 367.23910 203.4
[M+CH3COO]- 381.25475 227.8
[M+Na-2H]- 343.21557 189.7
[M]+ 322.24035 185.2
[M]- 322.24145 185.2
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.