CID 135424310

3-hydroxy anagrelide

Structural Information

Molecular Formula
C10H7Cl2N3O2
SMILES
C1C2=C(C=CC(=C2Cl)Cl)N=C3N1C(C(=O)N3)O
InChI
InChI=1S/C10H7Cl2N3O2/c11-5-1-2-6-4(7(5)12)3-15-9(17)8(16)14-10(15)13-6/h1-2,9,17H,3H2,(H,13,14,16)
InChIKey
KAXTUTDKZVOONF-UHFFFAOYSA-N
Compound name
6,7-dichloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

105
Patents

270.99155 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.99883 155.2
[M+Na]+ 293.98077 167.6
[M-H]- 269.98427 153.9
[M+NH4]+ 289.02537 171.9
[M+K]+ 309.95471 160.4
[M+H-H2O]+ 253.98881 149.1
[M+HCOO]- 315.98975 160.6
[M+CH3COO]- 330.00540 166.1
[M+Na-2H]- 291.96622 158.2
[M]+ 270.99100 155.7
[M]- 270.99210 155.7
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