CID 52677

Brn 0495609

Structural Information

Molecular Formula
C24H30N2
SMILES
C1CCC(CC1)NC2CN(C2)C3C4=CC=CC=C4CCC5=CC=CC=C35
InChI
InChI=1S/C24H30N2/c1-2-10-20(11-3-1)25-21-16-26(17-21)24-22-12-6-4-8-18(22)14-15-19-9-5-7-13-23(19)24/h4-9,12-13,20-21,24-25H,1-3,10-11,14-17H2
InChIKey
CRHLZDAYZHEKGL-UHFFFAOYSA-N
Compound name
N-cyclohexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.2409 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.24818 183.0
[M+Na]+ 369.23012 184.5
[M-H]- 345.23362 191.3
[M+NH4]+ 364.27472 189.3
[M+K]+ 385.20406 183.6
[M+H-H2O]+ 329.23816 169.9
[M+HCOO]- 391.23910 195.6
[M+CH3COO]- 405.25475 190.0
[M+Na-2H]- 367.21557 185.0
[M]+ 346.24035 181.0
[M]- 346.24145 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.