CID 86679621

1404364-72-2

Structural Information

Molecular Formula
C12H16Cl2IN3OSi
SMILES
C[Si](C)(C)CCOCN1C=C(C2=C1N=C(N=C2Cl)Cl)I
InChI
InChI=1S/C12H16Cl2IN3OSi/c1-20(2,3)5-4-19-7-18-6-8(15)9-10(13)16-12(14)17-11(9)18/h6H,4-5,7H2,1-3H3
InChIKey
GOSIUUKDKZGBNS-UHFFFAOYSA-N
Compound name
2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

442.94843 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.95571 177.3
[M+Na]+ 465.93765 184.5
[M+NH4]+ 460.98225 180.4
[M+K]+ 481.91159 181.7
[M-H]- 441.94115 171.4
[M+Na-2H]- 463.92310 170.1
[M]+ 442.94788 176.3
[M]- 442.94898 176.3
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