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

44
Patents

195.07965 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.086926 139.8
[M+Na]+ 218.068868 150.4
[M-H]- 194.072374 142.7
[M+NH4]+ 213.113473 157.1
[M+K]+ 234.042808 144.6
[M+H-H2O]+ 178.076910 131.0
[M+HCOO]- 240.077851 161.4
[M+CH3COO]- 254.093501 152.8
[M+Na-2H]- 216.054316 149.1
[M]+ 195.07910142 139.3
[M]- 195.08019858 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