CID 16077085

[2-[4-(3,4-dihydro-1h-isoquinoline-2-carbonyl)phenyl]-5,10b-dihydro-1h-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-(4-fluorophenyl)methanone

Structural Information

Molecular Formula
C33H26FN3O3
SMILES
C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)C4=NN5C(C4)C6=CC=CC=C6OC5C(=O)C7=CC=C(C=C7)F
InChI
InChI=1S/C33H26FN3O3/c34-26-15-13-23(14-16-26)31(38)33-37-29(27-7-3-4-8-30(27)40-33)19-28(35-37)22-9-11-24(12-10-22)32(39)36-18-17-21-5-1-2-6-25(21)20-36/h1-16,29,33H,17-20H2
InChIKey
GXHFFJLDYBLZEM-UHFFFAOYSA-N
Compound name
[2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.1958 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.20308 229.3
[M+Na]+ 554.18502 233.7
[M-H]- 530.18852 238.2
[M+NH4]+ 549.22962 231.6
[M+K]+ 570.15896 226.1
[M+H-H2O]+ 514.19306 213.4
[M+HCOO]- 576.19400 235.3
[M+CH3COO]- 590.20965 233.4
[M+Na-2H]- 552.17047 225.6
[M]+ 531.19525 224.5
[M]- 531.19635 224.5
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.