CID 47490

N,n-dimethyl-3,3-diphenylcyclobutylamine

Structural Information

Molecular Formula
C18H21N
SMILES
CN(C)C1CC(C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H21N/c1-19(2)17-13-18(14-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKey
AJDHRNLIZFCGGK-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3,3-diphenylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.1674 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17468 159.0
[M+Na]+ 274.15662 163.8
[M-H]- 250.16012 169.4
[M+NH4]+ 269.20122 171.6
[M+K]+ 290.13056 163.6
[M+H-H2O]+ 234.16466 145.7
[M+HCOO]- 296.16560 181.7
[M+CH3COO]- 310.18125 204.0
[M+Na-2H]- 272.14207 164.2
[M]+ 251.16685 166.3
[M]- 251.16795 166.3
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.