CID 2320080

303095-20-7

Structural Information

Molecular Formula
C18H16N4O3S
SMILES
COC1=C(C=C(C=C1)C=NC2=CC=CC=C2C3=NNC(=S)NC3=O)OC
InChI
InChI=1S/C18H16N4O3S/c1-24-14-8-7-11(9-15(14)25-2)10-19-13-6-4-3-5-12(13)16-17(23)20-18(26)22-21-16/h3-10H,1-2H3,(H2,20,22,23,26)
InChIKey
YKLNXOOVLLGTTO-UHFFFAOYSA-N
Compound name
6-[2-[(3,4-dimethoxyphenyl)methylideneamino]phenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10158 185.2
[M+Na]+ 391.08352 200.7
[M+NH4]+ 386.12812 190.7
[M+K]+ 407.05746 191.3
[M-H]- 367.08702 189.6
[M+Na-2H]- 389.06897 194.1
[M]+ 368.09375 189.0
[M]- 368.09485 189.0
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.