CID 3055560

Brn 0985321

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1CNC(=NC1)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C12H12N2O/c1-2-5-10-9(4-1)8-11(15-10)12-13-6-3-7-14-12/h1-2,4-5,8H,3,6-7H2,(H,13,14)
InChIKey
MYEVXBIYMPENHA-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-2-yl)-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09496 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 140.7
[M+Na]+ 223.08418 149.3
[M-H]- 199.08768 145.0
[M+NH4]+ 218.12878 157.8
[M+K]+ 239.05812 145.8
[M+H-H2O]+ 183.09222 132.8
[M+HCOO]- 245.09316 160.2
[M+CH3COO]- 259.10881 153.4
[M+Na-2H]- 221.06963 148.6
[M]+ 200.09441 138.9
[M]- 200.09551 138.9
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.