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

87
Patents

442.94843 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.95571 172.4
[M+Na]+ 465.93765 177.8
[M-H]- 441.94115 166.2
[M+NH4]+ 460.98225 183.2
[M+K]+ 481.91159 177.5
[M+H-H2O]+ 425.94569 161.7
[M+HCOO]- 487.94663 177.8
[M+CH3COO]- 501.96228 213.4
[M+Na-2H]- 463.92310 165.1
[M]+ 442.94788 178.2
[M]- 442.94898 178.2
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