CID 199946

Brn 0523680

Structural Information

Molecular Formula
C9H9N5O
SMILES
COC1=NC(=NC(=N1)N)C2=CC=NC=C2
InChI
InChI=1S/C9H9N5O/c1-15-9-13-7(12-8(10)14-9)6-2-4-11-5-3-6/h2-5H,1H3,(H2,10,12,13,14)
InChIKey
NZJUWHSOGMWBBF-UHFFFAOYSA-N
Compound name
4-methoxy-6-pyridin-4-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0807 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08798 144.3
[M+Na]+ 226.06992 154.2
[M-H]- 202.07342 145.8
[M+NH4]+ 221.11452 157.3
[M+K]+ 242.04386 150.3
[M+H-H2O]+ 186.07796 134.3
[M+HCOO]- 248.07890 165.5
[M+CH3COO]- 262.09455 156.3
[M+Na-2H]- 224.05537 153.2
[M]+ 203.08015 144.1
[M]- 203.08125 144.1
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.