CID 113396

63610-06-0

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 156.2
[M+Na]+ 267.12164 169.4
[M+NH4]+ 262.16624 163.8
[M+K]+ 283.09558 161.9
[M-H]- 243.12514 160.9
[M+Na-2H]- 265.10709 164.7
[M]+ 244.13187 159.3
[M]- 244.13297 159.3
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.