CID 45050993

3-(3-chloro-4-methoxyphenyl)-n-(9h-fluoren-2-yl)propanamide

Structural Information

Molecular Formula
C23H20ClNO2
SMILES
COC1=C(C=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3)Cl
InChI
InChI=1S/C23H20ClNO2/c1-27-22-10-6-15(12-21(22)24)7-11-23(26)25-18-8-9-20-17(14-18)13-16-4-2-3-5-19(16)20/h2-6,8-10,12,14H,7,11,13H2,1H3,(H,25,26)
InChIKey
CVNRSEJSFYMGMD-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methoxyphenyl)-N-(9H-fluoren-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.11826 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.12554 191.2
[M+Na]+ 400.10748 199.9
[M-H]- 376.11098 199.7
[M+NH4]+ 395.15208 207.7
[M+K]+ 416.08142 192.4
[M+H-H2O]+ 360.11552 183.5
[M+HCOO]- 422.11646 208.7
[M+CH3COO]- 436.13211 201.9
[M+Na-2H]- 398.09293 193.5
[M]+ 377.11771 196.3
[M]- 377.11881 196.3
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.