CID 39781

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

Structural Information

Molecular Formula
C25H32N2
SMILES
CC(=CCN(CCC(C)(C#N)C1=CC=CC2=CC=CC=C21)CC=C(C)C)C
InChI
InChI=1S/C25H32N2/c1-20(2)13-16-27(17-14-21(3)4)18-15-25(5,19-26)24-12-8-10-22-9-6-7-11-23(22)24/h6-14H,15-18H2,1-5H3
InChIKey
KFXBWTBBDCZYQZ-UHFFFAOYSA-N
Compound name
4-[bis(3-methylbut-2-enyl)amino]-2-methyl-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.25656 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.26384 201.0
[M+Na]+ 383.24578 206.5
[M-H]- 359.24928 204.1
[M+NH4]+ 378.29038 213.4
[M+K]+ 399.21972 199.3
[M+H-H2O]+ 343.25382 186.6
[M+HCOO]- 405.25476 215.0
[M+CH3COO]- 419.27041 233.8
[M+Na-2H]- 381.23123 200.1
[M]+ 360.25601 197.2
[M]- 360.25711 197.2
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.