CID 44630726

1190927-74-2

Structural Information

Molecular Formula
C6H5Cl2N3
SMILES
C1C2=C(CN1)N=C(N=C2Cl)Cl
InChI
InChI=1S/C6H5Cl2N3/c7-5-3-1-9-2-4(3)10-6(8)11-5/h9H,1-2H2
InChIKey
WJXFGDOFMONWMI-UHFFFAOYSA-N
Compound name
2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

188.98605 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.993326 134.7
[M+Na]+ 211.975268 146.1
[M-H]- 187.978774 133.1
[M+NH4]+ 207.019873 153.8
[M+K]+ 227.949208 140.3
[M+H-H2O]+ 171.983310 128.1
[M+HCOO]- 233.984251 143.8
[M+CH3COO]- 247.999901 147.0
[M+Na-2H]- 209.960716 140.4
[M]+ 188.98550142 134.4
[M]- 188.98659858 134.4
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

patents stripe