CID 479345

8-(trifluoromethoxy)-10b-hydroindolino[1,2-a]pyridino[4,3-d]pyrimidine-6,11-dione

Structural Information

Molecular Formula
C15H6F3N3O3
SMILES
C1=CC2=C(C=C1OC(F)(F)F)C(=O)C3=NC4=C(C=NC=C4)C(=O)N23
InChI
InChI=1S/C15H6F3N3O3/c16-15(17,18)24-7-1-2-11-8(5-7)12(22)13-20-10-3-4-19-6-9(10)14(23)21(11)13/h1-6H
InChIKey
MHGHHZKKQAJCDD-UHFFFAOYSA-N
Compound name
14-(trifluoromethoxy)-2,6,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

333.03613 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.04341 173.1
[M+Na]+ 356.02535 187.0
[M-H]- 332.02885 173.1
[M+NH4]+ 351.06995 188.0
[M+K]+ 371.99929 180.6
[M+H-H2O]+ 316.03339 162.1
[M+HCOO]- 378.03433 187.4
[M+CH3COO]- 392.04998 184.0
[M+Na-2H]- 354.01080 179.4
[M]+ 333.03558 174.6
[M]- 333.03668 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe