CID 59731038

Schembl207477

Structural Information

Molecular Formula
C23H19F2NO2
SMILES
C1CC2=C(CC1O)C(=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CC(=C(C=C4)F)F
InChI
InChI=1S/C23H19F2NO2/c24-20-11-9-17(12-21(20)25)14-4-6-16(7-5-14)23(28)26-22-3-1-2-15-8-10-18(27)13-19(15)22/h1-7,9,11-12,18,27H,8,10,13H2,(H,26,28)
InChIKey
BBXIMYHEGLSHKN-UHFFFAOYSA-N
Compound name
4-(3,4-difluorophenyl)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

379.1384 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14568 189.2
[M+Na]+ 402.12762 195.7
[M-H]- 378.13112 195.5
[M+NH4]+ 397.17222 200.6
[M+K]+ 418.10156 188.5
[M+H-H2O]+ 362.13566 177.7
[M+HCOO]- 424.13660 205.4
[M+CH3COO]- 438.15225 197.8
[M+Na-2H]- 400.11307 189.9
[M]+ 379.13785 183.4
[M]- 379.13895 183.4
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