CID 5101429

882748-66-5

Structural Information

Molecular Formula
C27H29NO
SMILES
C1CCC(CC1)C2=CC=C(C=C2)NCCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H29NO/c29-27(25-13-11-23(12-14-25)21-7-3-1-4-8-21)19-20-28-26-17-15-24(16-18-26)22-9-5-2-6-10-22/h1,3-4,7-8,11-18,22,28H,2,5-6,9-10,19-20H2
InChIKey
ZVTCPULKRAUZSS-UHFFFAOYSA-N
Compound name
3-(4-cyclohexylanilino)-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.2249 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.232176 195.6
[M+Na]+ 406.214118 196.6
[M-H]- 382.217624 205.7
[M+NH4]+ 401.258723 205.0
[M+K]+ 422.188058 189.6
[M+H-H2O]+ 366.222160 183.9
[M+HCOO]- 428.223101 213.8
[M+CH3COO]- 442.238751 203.0
[M+Na-2H]- 404.199566 196.1
[M]+ 383.22435142 189.2
[M]- 383.22544858 189.2
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.