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]+ 204.087976 144.3
[M+Na]+ 226.069918 154.2
[M-H]- 202.073424 145.8
[M+NH4]+ 221.114523 157.3
[M+K]+ 242.043858 150.3
[M+H-H2O]+ 186.077960 134.3
[M+HCOO]- 248.078901 165.5
[M+CH3COO]- 262.094551 156.3
[M+Na-2H]- 224.055366 153.2
[M]+ 203.08015142 144.1
[M]- 203.08124858 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.