CID 204394

Hexahydro-alpha,alpha-diphenyl-1h-azepin-2-methanol hydrochloride

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]+ 282.18526 172.9
[M+Na]+ 304.16720 183.6
[M+NH4]+ 299.21180 180.4
[M+K]+ 320.14114 177.2
[M-H]- 280.17070 177.4
[M+Na-2H]- 302.15265 181.6
[M]+ 281.17743 175.8
[M]- 281.17853 175.8
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.