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 165.4
[M+Na]+ 311.09372 173.1
[M-H]- 287.09722 169.8
[M+NH4]+ 306.13832 174.4
[M+K]+ 327.06766 168.5
[M+H-H2O]+ 271.10176 154.5
[M+HCOO]- 333.10270 176.1
[M+CH3COO]- 347.11835 175.0
[M+Na-2H]- 309.07917 168.8
[M]+ 288.10395 164.3
[M]- 288.10505 164.3
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