CID 99710

42012-90-8

Structural Information

Molecular Formula
C24H30N2
SMILES
CC(=CCN(CCC(C#N)C1=CC=CC2=CC=CC=C21)CC=C(C)C)C
InChI
InChI=1S/C24H30N2/c1-19(2)12-15-26(16-13-20(3)4)17-14-22(18-25)24-11-7-9-21-8-5-6-10-23(21)24/h5-13,22H,14-17H2,1-4H3
InChIKey
DWMYZKMRDUDVHE-UHFFFAOYSA-N
Compound name
4-[bis(3-methylbut-2-enyl)amino]-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2409 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.24818 195.5
[M+Na]+ 369.23012 200.8
[M-H]- 345.23362 198.4
[M+NH4]+ 364.27472 208.1
[M+K]+ 385.20406 193.6
[M+H-H2O]+ 329.23816 180.8
[M+HCOO]- 391.23910 210.3
[M+CH3COO]- 405.25475 231.6
[M+Na-2H]- 367.21557 193.4
[M]+ 346.24035 191.2
[M]- 346.24145 191.2
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.