CID 99707

Nsc 181948

Structural Information

Molecular Formula
C29H40N2O
SMILES
CC(=CCC(CCN(CC=C(C)C)CC=C(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)N)C
InChI
InChI=1S/C29H40N2O/c1-22(2)14-17-29(28(30)32,27-13-9-11-25-10-7-8-12-26(25)27)18-21-31(19-15-23(3)4)20-16-24(5)6/h7-16H,17-21H2,1-6H3,(H2,30,32)
InChIKey
XHMIIRLZSKEDPY-UHFFFAOYSA-N
Compound name
2-[2-[bis(3-methylbut-2-enyl)amino]ethyl]-5-methyl-2-naphthalen-1-ylhex-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.31406 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.32134 216.1
[M+Na]+ 455.30328 216.1
[M-H]- 431.30678 218.8
[M+NH4]+ 450.34788 226.1
[M+K]+ 471.27722 210.8
[M+H-H2O]+ 415.31132 207.5
[M+HCOO]- 477.31226 230.9
[M+CH3COO]- 491.32791 242.8
[M+Na-2H]- 453.28873 211.3
[M]+ 432.31351 216.3
[M]- 432.31461 216.3
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.