CID 35499

2-azido-4,6-dimethoxy-1,3,5-triazine

Structural Information

Molecular Formula
C5H6N6O2
SMILES
COC1=NC(=NC(=N1)N=[N+]=[N-])OC
InChI
InChI=1S/C5H6N6O2/c1-12-4-7-3(10-11-6)8-5(9-4)13-2/h1-2H3
InChIKey
SMNHXCCXAHLVEI-UHFFFAOYSA-N
Compound name
2-azido-4,6-dimethoxy-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

182.05522 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06250 132.7
[M+Na]+ 205.04444 142.1
[M-H]- 181.04794 136.0
[M+NH4]+ 200.08904 149.0
[M+K]+ 221.01838 137.2
[M+H-H2O]+ 165.05248 128.4
[M+HCOO]- 227.05342 161.9
[M+CH3COO]- 241.06907 183.9
[M+Na-2H]- 203.02989 146.2
[M]+ 182.05467 133.9
[M]- 182.05577 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe