CID 11971465

1,2,4-triazin-3(2h)-one, 5,6-bis(4-methoxyphenyl)-2-(2-chloroethyl)-

Structural Information

Molecular Formula
C19H18ClN3O3
SMILES
COC1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)OC)CCCl
InChI
InChI=1S/C19H18ClN3O3/c1-25-15-7-3-13(4-8-15)17-18(14-5-9-16(26-2)10-6-14)22-23(12-11-20)19(24)21-17/h3-10H,11-12H2,1-2H3
InChIKey
AZXVSVOTHQRECP-UHFFFAOYSA-N
Compound name
2-(2-chloroethyl)-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

371.10367 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11095 186.9
[M+Na]+ 394.09289 205.3
[M+NH4]+ 389.13749 193.6
[M+K]+ 410.06683 196.2
[M-H]- 370.09639 191.8
[M+Na-2H]- 392.07834 197.3
[M]+ 371.10312 191.4
[M]- 371.10422 191.4
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.