CID 169134691

Bbo-10203

Structural Information

Molecular Formula
C34H30F2N6O3S
SMILES
C[C@@H]1C2=CC(=NN2CCN1C(=O)C=C)C3=C(C4=C(C=CS4)C(=N3)C5=CC6=C(C=C5)N(N=C6)C)C7=C(C=C(C=C7F)F)OCCOC
InChI
InChI=1S/C34H30F2N6O3S/c1-5-29(43)41-9-10-42-27(19(41)2)17-25(39-42)33-31(30-24(36)15-22(35)16-28(30)45-12-11-44-4)34-23(8-13-46-34)32(38-33)20-6-7-26-21(14-20)18-37-40(26)3/h5-8,13-19H,1,9-12H2,2-4H3/t19-/m1/s1
InChIKey
CHKHXOHYIIZDNQ-LJQANCHMSA-N
Compound name
1-[(4R)-2-[7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-4-(1-methylindazol-5-yl)thieno[3,2-c]pyridin-6-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

640.2068 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.21408 255.2
[M+Na]+ 663.19602 267.2
[M-H]- 639.19952 264.0
[M+NH4]+ 658.24062 257.9
[M+K]+ 679.16996 257.9
[M+H-H2O]+ 623.20406 244.0
[M+HCOO]- 685.20500 261.9
[M+CH3COO]- 699.22065 260.4
[M+Na-2H]- 661.18147 244.2
[M]+ 640.20625 264.6
[M]- 640.20735 264.6
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