CID 39785

50765-79-2

Structural Information

Molecular Formula
C27H36N2
SMILES
CC(C)C(CCN(CC=C(C)C)CC=C(C)C)(C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C27H36N2/c1-21(2)14-17-29(18-15-22(3)4)19-16-27(20-28,23(5)6)26-13-9-11-24-10-7-8-12-25(24)26/h7-15,23H,16-19H2,1-6H3
InChIKey
QSIFLBJOLAMSHJ-UHFFFAOYSA-N
Compound name
2-[2-[bis(3-methylbut-2-enyl)amino]ethyl]-3-methyl-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.28784 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.29512 209.4
[M+Na]+ 411.27706 213.8
[M-H]- 387.28056 212.2
[M+NH4]+ 406.32166 220.6
[M+K]+ 427.25100 206.7
[M+H-H2O]+ 371.28510 194.8
[M+HCOO]- 433.28604 221.9
[M+CH3COO]- 447.30169 239.8
[M+Na-2H]- 409.26251 206.5
[M]+ 388.28729 205.6
[M]- 388.28839 205.6
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.