CID 124707122

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

Structural Information

Molecular Formula
C9H8ClN3
SMILES
C1CC1C2=NC3=C(C=CN3)C(=N2)Cl
InChI
InChI=1S/C9H8ClN3/c10-7-6-3-4-11-9(6)13-8(12-7)5-1-2-5/h3-5H,1-2H2,(H,11,12,13)
InChIKey
XNYAHSBCIYSJIK-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

193.04068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04796 143.3
[M+Na]+ 216.02990 156.8
[M-H]- 192.03340 146.5
[M+NH4]+ 211.07450 157.1
[M+K]+ 232.00384 149.6
[M+H-H2O]+ 176.03794 135.4
[M+HCOO]- 238.03888 160.1
[M+CH3COO]- 252.05453 155.9
[M+Na-2H]- 214.01535 149.8
[M]+ 193.04013 146.9
[M]- 193.04123 146.9
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