CID 3394314

7-(4-bromophenyl)-2-fluoro-6-phenyl-7,12-dihydro-6h-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C24H16BrFN4O
SMILES
C1=CC=C(C=C1)C2C3=C(C4=C(O2)C=CC(=C4)F)NC5=NC=NN5C3C6=CC=C(C=C6)Br
InChI
InChI=1S/C24H16BrFN4O/c25-16-8-6-14(7-9-16)22-20-21(29-24-27-13-28-30(22)24)18-12-17(26)10-11-19(18)31-23(20)15-4-2-1-3-5-15/h1-13,22-23H,(H,27,28,29)
InChIKey
RYXJLQPYRVIRSQ-UHFFFAOYSA-N
Compound name
11-(4-bromophenyl)-4-fluoro-9-phenyl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.04916 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.05644 213.5
[M+Na]+ 497.03838 221.2
[M+NH4]+ 492.08298 217.6
[M+K]+ 513.01232 218.7
[M-H]- 473.04188 217.6
[M+Na-2H]- 495.02383 215.9
[M]+ 474.04861 214.9
[M]- 474.04971 214.9
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.