CID 135452273

15233-35-9

Structural Information

Molecular Formula
C13H15N5O
SMILES
CC1=CC=C(C=C1)NC(=NC2=NC(=CC(=O)N2)C)N
InChI
InChI=1S/C13H15N5O/c1-8-3-5-10(6-4-8)16-12(14)18-13-15-9(2)7-11(19)17-13/h3-7H,1-2H3,(H4,14,15,16,17,18,19)
InChIKey
NKSDQMJJJDHSNF-UHFFFAOYSA-N
Compound name
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-methylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.12766 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13494 158.7
[M+Na]+ 280.11688 170.5
[M+NH4]+ 275.16148 164.8
[M+K]+ 296.09082 164.8
[M-H]- 256.12038 162.6
[M+Na-2H]- 278.10233 166.5
[M]+ 257.12711 161.1
[M]- 257.12821 161.1
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.