CID 3053038

Brn 0537089

Structural Information

Molecular Formula
C14H16N4OS
SMILES
CSC1=NC(=CN=N1)C2=CC=C(C=C2)N3CCOCC3
InChI
InChI=1S/C14H16N4OS/c1-20-14-16-13(10-15-17-14)11-2-4-12(5-3-11)18-6-8-19-9-7-18/h2-5,10H,6-9H2,1H3
InChIKey
KNNFEOWMRYYKOO-UHFFFAOYSA-N
Compound name
4-[4-(3-methylsulfanyl-1,2,4-triazin-5-yl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

288.1045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11178 164.3
[M+Na]+ 311.09372 179.9
[M+NH4]+ 306.13832 172.3
[M+K]+ 327.06766 170.4
[M-H]- 287.09722 170.4
[M+Na-2H]- 309.07917 173.4
[M]+ 288.10395 168.9
[M]- 288.10505 168.9
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