CID 118992935

4-chloro-5-iodo-2,7-dimethyl-7h-pyrrolo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C8H7ClIN3
SMILES
CC1=NC2=C(C(=CN2C)I)C(=N1)Cl
InChI
InChI=1S/C8H7ClIN3/c1-4-11-7(9)6-5(10)3-13(2)8(6)12-4/h3H,1-2H3
InChIKey
LUTVHBOBKKEWGM-UHFFFAOYSA-N
Compound name
4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

306.93732 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.94460 135.5
[M+Na]+ 329.92654 142.8
[M-H]- 305.93004 130.5
[M+NH4]+ 324.97114 150.8
[M+K]+ 345.90048 143.8
[M+H-H2O]+ 289.93458 125.6
[M+HCOO]- 351.93552 149.1
[M+CH3COO]- 365.95117 146.2
[M+Na-2H]- 327.91199 131.1
[M]+ 306.93677 138.3
[M]- 306.93787 138.3
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