CID 224701

Nsc13413

Structural Information

Molecular Formula
C20H23NO2
SMILES
CN1CCCCC(C1=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H23NO2/c1-21-15-9-8-14-18(19(21)22)20(23,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18,23H,8-9,14-15H2,1H3
InChIKey
TXISTBPTBHCNLE-UHFFFAOYSA-N
Compound name
3-[hydroxy(diphenyl)methyl]-1-methylazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 174.1
[M+Na]+ 332.16210 177.0
[M-H]- 308.16560 181.0
[M+NH4]+ 327.20670 185.2
[M+K]+ 348.13604 176.8
[M+H-H2O]+ 292.17014 166.1
[M+HCOO]- 354.17108 189.2
[M+CH3COO]- 368.18673 203.5
[M+Na-2H]- 330.14755 176.8
[M]+ 309.17233 166.6
[M]- 309.17343 166.6
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.