CID 15726011

134965-85-8

Structural Information

Molecular Formula
C12H7ClN6
SMILES
C1=CNC2=C1C(=NC=N2)N3C=CC4=C3N=CN=C4Cl
InChI
InChI=1S/C12H7ClN6/c13-9-7-2-4-19(11(7)17-5-15-9)12-8-1-3-14-10(8)16-6-18-12/h1-6H,(H,14,16,18)
InChIKey
VKXBNSZBGQFCPE-UHFFFAOYSA-N
Compound name
4-chloro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.04208 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.04936 155.3
[M+Na]+ 293.03130 173.3
[M+NH4]+ 288.07590 163.1
[M+K]+ 309.00524 169.0
[M-H]- 269.03480 157.1
[M+Na-2H]- 291.01675 164.2
[M]+ 270.04153 158.7
[M]- 270.04263 158.7
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

No patent data available for this compound.