CID 3483207

882748-70-1

Structural Information

Molecular Formula
C22H27NO2
SMILES
COC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)C3CCCCC3
InChI
InChI=1S/C22H27NO2/c1-25-21-13-9-19(10-14-21)22(24)15-16-23-20-11-7-18(8-12-20)17-5-3-2-4-6-17/h7-14,17,23H,2-6,15-16H2,1H3
InChIKey
MBGQSCWQGZYLAE-UHFFFAOYSA-N
Compound name
3-(4-cyclohexylanilino)-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.211476 182.8
[M+Na]+ 360.193418 184.8
[M-H]- 336.196924 190.6
[M+NH4]+ 355.238023 194.9
[M+K]+ 376.167358 180.1
[M+H-H2O]+ 320.201460 172.8
[M+HCOO]- 382.202401 201.9
[M+CH3COO]- 396.218051 214.2
[M+Na-2H]- 358.178866 183.7
[M]+ 337.20365142 179.1
[M]- 337.20474858 179.1
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.