CID 451857

143467-66-7

Structural Information

Molecular Formula
C13H14N4O2
SMILES
COC1=CC=C(C=C1)C(=N)C2=CC(=NC(=N2)OC)N
InChI
InChI=1S/C13H14N4O2/c1-18-9-5-3-8(4-6-9)12(15)10-7-11(14)17-13(16-10)19-2/h3-7,15H,1-2H3,(H2,14,16,17)
InChIKey
JAMDPCAPVLBZMY-UHFFFAOYSA-N
Compound name
2-methoxy-6-(4-methoxybenzenecarboximidoyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.11166 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11894 158.5
[M+Na]+ 281.10088 166.5
[M-H]- 257.10438 162.8
[M+NH4]+ 276.14548 171.8
[M+K]+ 297.07482 163.0
[M+H-H2O]+ 241.10892 149.2
[M+HCOO]- 303.10986 181.6
[M+CH3COO]- 317.12551 201.5
[M+Na-2H]- 279.08633 163.8
[M]+ 258.11111 158.5
[M]- 258.11221 158.5
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.