CID 39786

50765-82-7

Structural Information

Molecular Formula
C36H51N3
SMILES
CC(=CCN(CCC(CCN(CC=C(C)C)CC=C(C)C)(C#N)C1=CC=CC2=CC=CC=C21)CC=C(C)C)C
InChI
InChI=1S/C36H51N3/c1-29(2)16-22-38(23-17-30(3)4)26-20-36(28-37,35-15-11-13-33-12-9-10-14-34(33)35)21-27-39(24-18-31(5)6)25-19-32(7)8/h9-19H,20-27H2,1-8H3
InChIKey
DDWKCBUSQTZBMR-UHFFFAOYSA-N
Compound name
4-[bis(3-methylbut-2-enyl)amino]-2-[2-[bis(3-methylbut-2-enyl)amino]ethyl]-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.4083 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.41558 240.1
[M+Na]+ 548.39752 246.7
[M+NH4]+ 543.44212 241.1
[M+K]+ 564.37146 235.1
[M-H]- 524.40102 234.6
[M+Na-2H]- 546.38297 238.4
[M]+ 525.40775 238.5
[M]- 525.40885 238.5
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.