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 139.5
[M+Na]+ 217.07362 150.1
[M-H]- 193.07712 145.1
[M+NH4]+ 212.11822 159.0
[M+K]+ 233.04756 145.2
[M+H-H2O]+ 177.08166 131.2
[M+HCOO]- 239.08260 163.6
[M+CH3COO]- 253.09825 153.5
[M+Na-2H]- 215.05907 148.7
[M]+ 194.08385 140.6
[M]- 194.08495 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.