CID 47490

64895-46-1

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

3
Patents

251.1674 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.174676 159.0
[M+Na]+ 274.156618 163.8
[M-H]- 250.160124 169.4
[M+NH4]+ 269.201223 171.6
[M+K]+ 290.130558 163.6
[M+H-H2O]+ 234.164660 145.7
[M+HCOO]- 296.165601 181.7
[M+CH3COO]- 310.181251 204.0
[M+Na-2H]- 272.142066 164.2
[M]+ 251.16685142 166.3
[M]- 251.16794858 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.