CID 3058041

74417-01-9

Structural Information

Molecular Formula
C14H11N3S
SMILES
CSC1=NC(=CN=N1)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C14H11N3S/c1-18-14-16-13(9-15-17-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3
InChIKey
OXGALHLELGYDLD-UHFFFAOYSA-N
Compound name
3-methylsulfanyl-5-naphthalen-2-yl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.06737 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07465 154.1
[M+Na]+ 276.05659 171.8
[M+NH4]+ 271.10119 164.0
[M+K]+ 292.03053 160.5
[M-H]- 252.06009 159.3
[M+Na-2H]- 274.04204 164.8
[M]+ 253.06682 158.9
[M]- 253.06792 158.9
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

No patent data available for this compound.