CID 4247789

2,3-dihydro-1h-perimidin-2-one

Structural Information

Molecular Formula
C11H8N2O
SMILES
C1=CC2=C3C(=C1)NC(=O)NC3=CC=C2
InChI
InChI=1S/C11H8N2O/c14-11-12-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H,(H2,12,13,14)
InChIKey
NKEWBOPVULFSFJ-UHFFFAOYSA-N
Compound name
1,3-dihydroperimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

716
Patents

184.06366 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.070936 137.7
[M+Na]+ 207.052878 146.3
[M-H]- 183.056384 137.0
[M+NH4]+ 202.097483 155.8
[M+K]+ 223.026818 140.6
[M+H-H2O]+ 167.060920 130.5
[M+HCOO]- 229.061861 153.2
[M+CH3COO]- 243.077511 149.2
[M+Na-2H]- 205.038326 147.3
[M]+ 184.06311142 133.7
[M]- 184.06420858 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe