CID 3046284

Mg 18037

Structural Information

Molecular Formula
C25H35N
SMILES
CC(C)(C)C1CCC(CC1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H35N/c1-25(2,3)22-14-16-23(17-15-22)26-19-18-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,22-24,26H,14-19H2,1-3H3
InChIKey
IGUWOQYQOOHZDO-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(3,3-diphenylpropyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.27695 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.28423 189.9
[M+Na]+ 372.26617 190.1
[M-H]- 348.26967 197.1
[M+NH4]+ 367.31077 201.7
[M+K]+ 388.24011 184.5
[M+H-H2O]+ 332.27421 180.2
[M+HCOO]- 394.27515 205.9
[M+CH3COO]- 408.29080 218.4
[M+Na-2H]- 370.25162 190.7
[M]+ 349.27640 184.2
[M]- 349.27750 184.2
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.