CID 3046502

62208-86-0

Structural Information

Molecular Formula
C11H8ClN5O
SMILES
C1=CC=C(C=C1)N2C(=C3C(=N)N(C=NC3=N2)O)Cl
InChI
InChI=1S/C11H8ClN5O/c12-9-8-10(13)16(18)6-14-11(8)15-17(9)7-4-2-1-3-5-7/h1-6,13,18H
InChIKey
DMMWOFLZCYGLTJ-UHFFFAOYSA-N
Compound name
3-chloro-5-hydroxy-2-phenylpyrazolo[3,4-d]pyrimidin-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.04175 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04903 154.6
[M+Na]+ 284.03097 168.2
[M-H]- 260.03447 157.2
[M+NH4]+ 279.07557 169.1
[M+K]+ 300.00491 160.8
[M+H-H2O]+ 244.03901 145.6
[M+HCOO]- 306.03995 171.7
[M+CH3COO]- 320.05560 167.0
[M+Na-2H]- 282.01642 162.0
[M]+ 261.04120 157.4
[M]- 261.04230 157.4
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.