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]+ 384.23218 195.6
[M+Na]+ 406.21412 196.6
[M-H]- 382.21762 205.7
[M+NH4]+ 401.25872 205.0
[M+K]+ 422.18806 189.6
[M+H-H2O]+ 366.22216 183.9
[M+HCOO]- 428.22310 213.8
[M+CH3COO]- 442.23875 203.0
[M+Na-2H]- 404.19957 196.1
[M]+ 383.22435 189.2
[M]- 383.22545 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.