CID 11717001

Gdc-0879

Structural Information

Molecular Formula
C19H18N4O2
SMILES
C1C/C(=N\O)/C2=C1C=C(C=C2)C3=CN(N=C3C4=CC=NC=C4)CCO
InChI
InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+
InChIKey
DEZZLWQELQORIU-RELWKKBWSA-N
Compound name
2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

1911
Patents

334.14297 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15025 177.1
[M+Na]+ 357.13219 185.3
[M-H]- 333.13569 183.6
[M+NH4]+ 352.17679 190.3
[M+K]+ 373.10613 179.0
[M+H-H2O]+ 317.14023 167.3
[M+HCOO]- 379.14117 197.3
[M+CH3COO]- 393.15682 187.4
[M+Na-2H]- 355.11764 178.6
[M]+ 334.14242 177.1
[M]- 334.14352 177.1
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.