CID 204394

16226-62-3

Structural Information

Molecular Formula
C19H23NO
SMILES
C1CCC(NCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H23NO/c21-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-20-18/h1-2,4-7,10-13,18,20-21H,3,8-9,14-15H2
InChIKey
BPUCFKSONPJZJK-UHFFFAOYSA-N
Compound name
azepan-2-yl(diphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 167.7
[M+Na]+ 304.167198 168.7
[M-H]- 280.170704 172.7
[M+NH4]+ 299.211803 178.8
[M+K]+ 320.141138 167.5
[M+H-H2O]+ 264.175240 160.0
[M+HCOO]- 326.176181 181.3
[M+CH3COO]- 340.191831 175.7
[M+Na-2H]- 302.152646 171.8
[M]+ 281.17743142 156.7
[M]- 281.17852858 156.7
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.