CID 17754438

Pf-04217903

Structural Information

Molecular Formula
C19H16N8O
SMILES
C1=CC2=C(C=CC(=C2)CN3C4=NC(=CN=C4N=N3)C5=CN(N=C5)CCO)N=C1
InChI
InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2
InChIKey
PDMUGYOXRHVNMO-UHFFFAOYSA-N
Compound name
2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

39
References

442
Patents

372.1447 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15198 187.9
[M+Na]+ 395.13392 200.6
[M-H]- 371.13742 190.3
[M+NH4]+ 390.17852 193.8
[M+K]+ 411.10786 191.3
[M+H-H2O]+ 355.14196 175.2
[M+HCOO]- 417.14290 202.8
[M+CH3COO]- 431.15855 196.5
[M+Na-2H]- 393.11937 192.6
[M]+ 372.14415 192.6
[M]- 372.14525 192.6
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