CID 89460082

2,4-dichloro-5-iodo-7-methyl-7h-pyrrolo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C7H4Cl2IN3
SMILES
CN1C=C(C2=C1N=C(N=C2Cl)Cl)I
InChI
InChI=1S/C7H4Cl2IN3/c1-13-2-3(10)4-5(8)11-7(9)12-6(4)13/h2H,1H3
InChIKey
QYZQYJPDWDSARB-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

326.8827 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.88998 135.0
[M+Na]+ 349.87192 142.8
[M-H]- 325.87542 129.3
[M+NH4]+ 344.91652 149.7
[M+K]+ 365.84586 143.0
[M+H-H2O]+ 309.87996 125.3
[M+HCOO]- 371.88090 143.9
[M+CH3COO]- 385.89655 145.2
[M+Na-2H]- 347.85737 130.5
[M]+ 326.88215 138.2
[M]- 326.88325 138.2
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