CID 63998

Brn 5358055

Structural Information

Molecular Formula
C22H14F2N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)C3=CC=C(C=C3)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C22H14F2N2O2/c23-16-9-10-17(19(24)11-16)14-5-7-15(8-6-14)21(27)12-26-13-25-20-4-2-1-3-18(20)22(26)28/h1-11,13H,12H2
InChIKey
COWPHIXKMDOINN-UHFFFAOYSA-N
Compound name
3-[2-[4-(2,4-difluorophenyl)phenyl]-2-oxoethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.10233 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10961 189.3
[M+Na]+ 399.09155 199.6
[M-H]- 375.09505 195.0
[M+NH4]+ 394.13615 198.9
[M+K]+ 415.06549 191.5
[M+H-H2O]+ 359.09959 175.7
[M+HCOO]- 421.10053 206.3
[M+CH3COO]- 435.11618 198.8
[M+Na-2H]- 397.07700 192.2
[M]+ 376.10178 188.5
[M]- 376.10288 188.5
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.