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]+ 195.091676 139.5
[M+Na]+ 217.073618 150.1
[M-H]- 193.077124 145.1
[M+NH4]+ 212.118223 159.0
[M+K]+ 233.047558 145.2
[M+H-H2O]+ 177.081660 131.2
[M+HCOO]- 239.082601 163.6
[M+CH3COO]- 253.098251 153.5
[M+Na-2H]- 215.059066 148.7
[M]+ 194.08385142 140.6
[M]- 194.08494858 140.6
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.