CID 302101

50765-80-5

Structural Information

Molecular Formula
C28H38N2
SMILES
CCC(C)C(CCN(CC=C(C)C)CC=C(C)C)(C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C28H38N2/c1-7-24(6)28(21-29,27-14-10-12-25-11-8-9-13-26(25)27)17-20-30(18-15-22(2)3)19-16-23(4)5/h8-16,24H,7,17-20H2,1-6H3
InChIKey
JFZUXRURNWLFOS-UHFFFAOYSA-N
Compound name
2-[2-[bis(3-methylbut-2-enyl)amino]ethyl]-3-methyl-2-naphthalen-1-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.3035 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.31078 213.4
[M+Na]+ 425.29272 217.4
[M-H]- 401.29622 215.9
[M+NH4]+ 420.33732 224.0
[M+K]+ 441.26666 210.1
[M+H-H2O]+ 385.30076 198.6
[M+HCOO]- 447.30170 225.5
[M+CH3COO]- 461.31735 242.4
[M+Na-2H]- 423.27817 209.9
[M]+ 402.30295 209.9
[M]- 402.30405 209.9
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.