CID 199987

4-methoxy-6-(phenoxymethyl)-1,3,5-triazin-2-amine

Structural Information

Molecular Formula
C11H12N4O2
SMILES
COC1=NC(=NC(=N1)N)COC2=CC=CC=C2
InChI
InChI=1S/C11H12N4O2/c1-16-11-14-9(13-10(12)15-11)7-17-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,15)
InChIKey
UCPIWMOUDYVNEN-UHFFFAOYSA-N
Compound name
4-methoxy-6-(phenoxymethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.09602 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.103296 150.8
[M+Na]+ 255.085238 159.7
[M-H]- 231.088744 153.4
[M+NH4]+ 250.129843 164.0
[M+K]+ 271.059178 156.3
[M+H-H2O]+ 215.093280 141.0
[M+HCOO]- 277.094221 173.0
[M+CH3COO]- 291.109871 191.9
[M+Na-2H]- 253.070686 158.7
[M]+ 232.09547142 152.2
[M]- 232.09656858 152.2
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.