CID 60333

Brn 3319620

Structural Information

Molecular Formula
C16H18ClNO
SMILES
C1=CC=C(C=C1)C[N+](CCCl)(CC2=CC=CC=C2)[O-]
InChI
InChI=1S/C16H18ClNO/c17-11-12-18(19,13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
OPOHQFMDKSJDMD-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-chloroethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1077 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11498 163.6
[M+Na]+ 298.09692 168.9
[M-H]- 274.10042 169.0
[M+NH4]+ 293.14152 179.6
[M+K]+ 314.07086 158.8
[M+H-H2O]+ 258.10496 161.4
[M+HCOO]- 320.10590 182.5
[M+CH3COO]- 334.12155 192.3
[M+Na-2H]- 296.08237 172.4
[M]+ 275.10715 163.6
[M]- 275.10825 163.6
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.