CID 39783

Alpha-(2-diprenylaminoethyl)-alpha-ethyl-1-naphthylacetonitrile hydrochloride

Structural Information

Molecular Formula
C26H34N2
SMILES
CCC(CCN(CC=C(C)C)CC=C(C)C)(C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C26H34N2/c1-6-26(20-27,25-13-9-11-23-10-7-8-12-24(23)25)16-19-28(17-14-21(2)3)18-15-22(4)5/h7-15H,6,16-19H2,1-5H3
InChIKey
PKTOWESZWAEYHM-UHFFFAOYSA-N
Compound name
4-[bis(3-methylbut-2-enyl)amino]-2-ethyl-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2722 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.27948 205.0
[M+Na]+ 397.26142 210.1
[M-H]- 373.26492 207.9
[M+NH4]+ 392.30602 216.8
[M+K]+ 413.23536 202.7
[M+H-H2O]+ 357.26946 190.4
[M+HCOO]- 419.27040 218.7
[M+CH3COO]- 433.28605 236.5
[M+Na-2H]- 395.24687 203.6
[M]+ 374.27165 201.5
[M]- 374.27275 201.5
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.