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

30
References

2002
Patents

334.14297 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.150246 177.1
[M+Na]+ 357.132188 185.3
[M-H]- 333.135694 183.6
[M+NH4]+ 352.176793 190.3
[M+K]+ 373.106128 179.0
[M+H-H2O]+ 317.140230 167.3
[M+HCOO]- 379.141171 197.3
[M+CH3COO]- 393.156821 187.4
[M+Na-2H]- 355.117636 178.6
[M]+ 334.14242142 177.1
[M]- 334.14351858 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

literature stripe

Patent stripe

patents stripe