CID 59361004

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

Structural Information

Molecular Formula
C7H5ClN4O
SMILES
C1=C(C2=C(N1)N=CN=C2Cl)C(=O)N
InChI
InChI=1S/C7H5ClN4O/c8-5-4-3(6(9)13)1-10-7(4)12-2-11-5/h1-2H,(H2,9,13)(H,10,11,12)
InChIKey
UDUGGOYXXDQLEP-UHFFFAOYSA-N
Compound name
4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

196.01518 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.022456 136.5
[M+Na]+ 219.004398 148.4
[M-H]- 195.007904 136.3
[M+NH4]+ 214.049003 154.6
[M+K]+ 234.978338 143.1
[M+H-H2O]+ 179.012440 129.6
[M+HCOO]- 241.013381 153.5
[M+CH3COO]- 255.029031 149.5
[M+Na-2H]- 216.989846 143.1
[M]+ 196.01463142 137.4
[M]- 196.01572858 137.4
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