CID 3069214

St 938

Structural Information

Molecular Formula
C20H20ClN3O3
SMILES
COC1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)OC)CCCCl
InChI
InChI=1S/C20H20ClN3O3/c1-26-16-8-4-14(5-9-16)18-19(15-6-10-17(27-2)11-7-15)23-24(13-3-12-21)20(25)22-18/h4-11H,3,12-13H2,1-2H3
InChIKey
XVGWBUOHKXCVTA-UHFFFAOYSA-N
Compound name
2-(3-chloropropyl)-5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.11932 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12660 191.4
[M+Na]+ 408.10854 209.6
[M+NH4]+ 403.15314 197.9
[M+K]+ 424.08248 200.2
[M-H]- 384.11204 196.3
[M+Na-2H]- 406.09399 201.5
[M]+ 385.11877 195.9
[M]- 385.11987 195.9
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.