CID 301845

50765-81-6

Structural Information

Molecular Formula
C29H38N2
SMILES
CC(=CCC(CCN(CC=C(C)C)CC=C(C)C)(C#N)C1=CC=CC2=CC=CC=C21)C
InChI
InChI=1S/C29H38N2/c1-23(2)14-17-29(22-30,28-13-9-11-26-10-7-8-12-27(26)28)18-21-31(19-15-24(3)4)20-16-25(5)6/h7-16H,17-21H2,1-6H3
InChIKey
YOMJSHWQPBCSPC-UHFFFAOYSA-N
Compound name
2-[2-[bis(3-methylbut-2-enyl)amino]ethyl]-5-methyl-2-naphthalen-1-ylhex-4-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.3035 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.31078 217.4
[M+Na]+ 437.29272 221.4
[M-H]- 413.29622 219.9
[M+NH4]+ 432.33732 227.6
[M+K]+ 453.26666 213.3
[M+H-H2O]+ 397.30076 202.6
[M+HCOO]- 459.30170 229.4
[M+CH3COO]- 473.31735 243.8
[M+Na-2H]- 435.27817 213.4
[M]+ 414.30295 213.5
[M]- 414.30405 213.5
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.