CID 22906251

2-phenyl-7h-pyrrolo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C12H9N3
SMILES
C1=CC=C(C=C1)C2=NC=C3C=CNC3=N2
InChI
InChI=1S/C12H9N3/c1-2-4-9(5-3-1)11-14-8-10-6-7-13-12(10)15-11/h1-8H,(H,13,14,15)
InChIKey
HVPMMTIMEHDCTN-UHFFFAOYSA-N
Compound name
2-phenyl-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

195.07965 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08693 139.8
[M+Na]+ 218.06887 150.4
[M-H]- 194.07237 142.7
[M+NH4]+ 213.11347 157.1
[M+K]+ 234.04281 144.6
[M+H-H2O]+ 178.07691 131.0
[M+HCOO]- 240.07785 161.4
[M+CH3COO]- 254.09350 152.8
[M+Na-2H]- 216.05432 149.1
[M]+ 195.07910 139.3
[M]- 195.08020 139.3
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