CID 17392

Brn 2169903

Structural Information

Molecular Formula
C25H28N2
SMILES
CC(C)C(CCN(C)CC1=CC=CC=C1)(C#N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C25H28N2/c1-20(2)25(19-26,16-17-27(3)18-21-10-5-4-6-11-21)24-15-9-13-22-12-7-8-14-23(22)24/h4-15,20H,16-18H2,1-3H3
InChIKey
IEIVPGHRLXFLGE-UHFFFAOYSA-N
Compound name
2-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.22525 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.23253 198.8
[M+Na]+ 379.21447 205.3
[M-H]- 355.21797 204.2
[M+NH4]+ 374.25907 210.6
[M+K]+ 395.18841 197.1
[M+H-H2O]+ 339.22251 183.2
[M+HCOO]- 401.22345 214.3
[M+CH3COO]- 415.23910 231.9
[M+Na-2H]- 377.19992 200.9
[M]+ 356.22470 194.3
[M]- 356.22580 194.3
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.