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]+ 245.139696 155.9
[M+Na]+ 267.121638 163.4
[M-H]- 243.125144 162.5
[M+NH4]+ 262.166243 171.4
[M+K]+ 283.095578 160.7
[M+H-H2O]+ 227.129680 146.0
[M+HCOO]- 289.130621 180.7
[M+CH3COO]- 303.146271 203.2
[M+Na-2H]- 265.107086 162.2
[M]+ 244.13187142 156.2
[M]- 244.13296858 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.