CID 3053066

Brn 0537088

Structural Information

Molecular Formula
C14H16N4O2
SMILES
COC1=NC(=CN=N1)C2=CC=C(C=C2)N3CCOCC3
InChI
InChI=1S/C14H16N4O2/c1-19-14-16-13(10-15-17-14)11-2-4-12(5-3-11)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3
InChIKey
CZILVVMDXMUXKU-UHFFFAOYSA-N
Compound name
4-[4-(3-methoxy-1,2,4-triazin-5-yl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.12732 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13460 164.5
[M+Na]+ 295.11654 171.1
[M-H]- 271.12004 168.5
[M+NH4]+ 290.16114 172.9
[M+K]+ 311.09048 167.9
[M+H-H2O]+ 255.12458 152.2
[M+HCOO]- 317.12552 179.6
[M+CH3COO]- 331.14117 174.1
[M+Na-2H]- 293.10199 170.7
[M]+ 272.12677 162.4
[M]- 272.12787 162.4
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

patents stripe