CID 3039548

Brn 3076402

Structural Information

Molecular Formula
C36H53N3O
SMILES
CC(=CCN(CCC(CCN(CC=C(C)C)CC=C(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)N)CC=C(C)C)C
InChI
InChI=1S/C36H53N3O/c1-28(2)16-22-38(23-17-29(3)4)26-20-36(35(37)40,34-15-11-13-32-12-9-10-14-33(32)34)21-27-39(24-18-30(5)6)25-19-31(7)8/h9-19H,20-27H2,1-8H3,(H2,37,40)
InChIKey
RCUAUWPBLXTBGM-UHFFFAOYSA-N
Compound name
4-[bis(3-methylbut-2-enyl)amino]-2-[2-[bis(3-methylbut-2-enyl)amino]ethyl]-2-naphthalen-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.4189 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.42618 248.6
[M+Na]+ 566.40812 244.9
[M-H]- 542.41162 251.2
[M+NH4]+ 561.45272 254.1
[M+K]+ 582.38206 240.0
[M+H-H2O]+ 526.41616 238.7
[M+HCOO]- 588.41710 261.7
[M+CH3COO]- 602.43275 270.5
[M+Na-2H]- 564.39357 239.2
[M]+ 543.41835 250.4
[M]- 543.41945 250.4
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.