CID 14809282

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

Structural Information

Molecular Formula
C7H6ClN3
SMILES
CC1=CNC2=C1C(=NC=N2)Cl
InChI
InChI=1S/C7H6ClN3/c1-4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H,9,10,11)
InChIKey
NISJMYPRXDUYTF-UHFFFAOYSA-N
Compound name
4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

423
Patents

167.02502 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.032296 130.0
[M+Na]+ 190.014238 143.0
[M-H]- 166.017744 130.0
[M+NH4]+ 185.058843 150.1
[M+K]+ 205.988178 137.7
[M+H-H2O]+ 150.022280 123.3
[M+HCOO]- 212.023221 147.1
[M+CH3COO]- 226.038871 144.0
[M+Na-2H]- 187.999686 138.2
[M]+ 167.02447142 132.4
[M]- 167.02556858 132.4
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