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

27
Patents

196.01518 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.02246 136.5
[M+Na]+ 219.00440 148.4
[M-H]- 195.00790 136.3
[M+NH4]+ 214.04900 154.6
[M+K]+ 234.97834 143.1
[M+H-H2O]+ 179.01244 129.6
[M+HCOO]- 241.01338 153.5
[M+CH3COO]- 255.02903 149.5
[M+Na-2H]- 216.98985 143.1
[M]+ 196.01463 137.4
[M]- 196.01573 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