CID 12365406

7-phenylpyrrolo[1,2-a]pyrimidine

Structural Information

Molecular Formula
C13H10N2
SMILES
C1=CC=C(C=C1)C2=CN3C=CC=NC3=C2
InChI
InChI=1S/C13H10N2/c1-2-5-11(6-3-1)12-9-13-14-7-4-8-15(13)10-12/h1-10H
InChIKey
GTQQQPVUJILZRQ-UHFFFAOYSA-N
Compound name
7-phenylpyrrolo[1,2-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0844 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09168 140.2
[M+Na]+ 217.07362 157.3
[M+NH4]+ 212.11822 150.5
[M+K]+ 233.04756 150.0
[M-H]- 193.07712 145.2
[M+Na-2H]- 215.05907 151.6
[M]+ 194.08385 144.3
[M]- 194.08495 144.3
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

No patent data available for this compound.