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 167.7
[M+Na]+ 304.16720 168.7
[M-H]- 280.17070 172.7
[M+NH4]+ 299.21180 178.8
[M+K]+ 320.14114 167.5
[M+H-H2O]+ 264.17524 160.0
[M+HCOO]- 326.17618 181.3
[M+CH3COO]- 340.19183 175.7
[M+Na-2H]- 302.15265 171.8
[M]+ 281.17743 156.7
[M]- 281.17853 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.