CID 113396

2(1h)-pyrimidinone, 3,4-dihydro-1,3-dimethyl-4-((phenylazo)methyl)-

Structural Information

Molecular Formula
C13H16N4O
SMILES
CN1C=CC(N(C1=O)C)CN=NC2=CC=CC=C2
InChI
InChI=1S/C13H16N4O/c1-16-9-8-12(17(2)13(16)18)10-14-15-11-6-4-3-5-7-11/h3-9,12H,10H2,1-2H3
InChIKey
HCANMDYPWIVMMB-UHFFFAOYSA-N
Compound name
1,3-dimethyl-4-(phenyldiazenylmethyl)-4H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.13242 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13970 155.9
[M+Na]+ 267.12164 163.4
[M-H]- 243.12514 162.5
[M+NH4]+ 262.16624 171.4
[M+K]+ 283.09558 160.7
[M+H-H2O]+ 227.12968 146.0
[M+HCOO]- 289.13062 180.7
[M+CH3COO]- 303.14627 203.2
[M+Na-2H]- 265.10709 162.2
[M]+ 244.13187 156.2
[M]- 244.13297 156.2
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.