CID 86298861

1628416-28-3

Structural Information

Molecular Formula
C27H23FN4O4
SMILES
CCOC1=CC2=C(C=C1)C(=NN(C2=O)CC(=O)N(C)C3=CC4=C(C=C3)N=C(O4)C)C5=CC(=CC=C5)F
InChI
InChI=1S/C27H23FN4O4/c1-4-35-20-9-10-21-22(14-20)27(34)32(30-26(21)17-6-5-7-18(28)12-17)15-25(33)31(3)19-8-11-23-24(13-19)36-16(2)29-23/h5-14H,4,15H2,1-3H3
InChIKey
XRPSUWYWZUQALB-UHFFFAOYSA-N
Compound name
2-[7-ethoxy-4-(3-fluorophenyl)-1-oxophthalazin-2-yl]-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

209
Patents

486.17032 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.17760 219.0
[M+Na]+ 509.15954 235.5
[M+NH4]+ 504.20414 224.0
[M+K]+ 525.13348 229.5
[M-H]- 485.16304 224.8
[M+Na-2H]- 507.14499 225.7
[M]+ 486.16977 223.0
[M]- 486.17087 223.0
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