CID 137308519

Blue dextran

Structural Information

Molecular Formula
C25H17FN6
SMILES
CC1=CC(=CC(=C1)F)C2=CN=CC3=C2C=C(N3)C4=NNC5=CN=C(C=C54)C6=CN=CC=C6
InChI
InChI=1S/C25H17FN6/c1-14-5-16(7-17(26)6-14)20-11-28-12-23-18(20)8-22(30-23)25-19-9-21(15-3-2-4-27-10-15)29-13-24(19)31-32-25/h2-13,30H,1H3,(H,31,32)
InChIKey
QMIIBAOCSMYLOJ-UHFFFAOYSA-N
Compound name
3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

81
References

2
Patents

420.14987 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15715 200.9
[M+Na]+ 443.13909 213.8
[M-H]- 419.14259 206.5
[M+NH4]+ 438.18369 206.8
[M+K]+ 459.11303 201.4
[M+H-H2O]+ 403.14713 187.6
[M+HCOO]- 465.14807 215.0
[M+CH3COO]- 479.16372 209.0
[M+Na-2H]- 441.12454 202.4
[M]+ 420.14932 201.3
[M]- 420.15042 201.3
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