CID 59731029

Schembl2734753

Structural Information

Molecular Formula
C23H20ClFN2O2
SMILES
C1CC2=C(CC1O)C(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=CC(=C(C=C4)Cl)F
InChI
InChI=1S/C23H20ClFN2O2/c24-20-10-8-16(12-21(20)25)15-4-1-5-17(11-15)26-23(29)27-22-6-2-3-14-7-9-18(28)13-19(14)22/h1-6,8,10-12,18,28H,7,9,13H2,(H2,26,27,29)
InChIKey
VIQQVXGGWBFLTG-UHFFFAOYSA-N
Compound name
1-[3-(4-chloro-3-fluorophenyl)phenyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

410.11972 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.12700 195.4
[M+Na]+ 433.10894 201.9
[M-H]- 409.11244 202.8
[M+NH4]+ 428.15354 206.3
[M+K]+ 449.08288 194.0
[M+H-H2O]+ 393.11698 185.5
[M+HCOO]- 455.11792 209.3
[M+CH3COO]- 469.13357 203.7
[M+Na-2H]- 431.09439 197.1
[M]+ 410.11917 192.8
[M]- 410.12027 192.8
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

patents stripe