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]+ 323.248176 187.9
[M+Na]+ 345.230118 194.2
[M-H]- 321.233624 191.3
[M+NH4]+ 340.274723 201.8
[M+K]+ 361.204058 188.3
[M+H-H2O]+ 305.238160 173.7
[M+HCOO]- 367.239101 203.4
[M+CH3COO]- 381.254751 227.8
[M+Na-2H]- 343.215566 189.7
[M]+ 322.24035142 185.2
[M]- 322.24144858 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.