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]+ 338.21148 182.8
[M+Na]+ 360.19342 184.8
[M-H]- 336.19692 190.6
[M+NH4]+ 355.23802 194.9
[M+K]+ 376.16736 180.1
[M+H-H2O]+ 320.20146 172.8
[M+HCOO]- 382.20240 201.9
[M+CH3COO]- 396.21805 214.2
[M+Na-2H]- 358.17887 183.7
[M]+ 337.20365 179.1
[M]- 337.20475 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.