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 159.3
[M+Na]+ 280.11688 167.1
[M-H]- 256.12038 163.7
[M+NH4]+ 275.16148 172.6
[M+K]+ 296.09082 162.4
[M+H-H2O]+ 240.12492 150.0
[M+HCOO]- 302.12586 183.5
[M+CH3COO]- 316.14151 202.6
[M+Na-2H]- 278.10233 165.0
[M]+ 257.12711 156.5
[M]- 257.12821 156.5
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.