CID 24847162

As-triazin-3(2h)-one, 5,6-bis(p-methoxyphenyl)-2-(2-(4-methyl-1-piperazinyl)ethyl)-

Structural Information

Molecular Formula
C24H29N5O3
SMILES
CN1CCN(CC1)CCN2C(=O)N=C(C(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H29N5O3/c1-27-12-14-28(15-13-27)16-17-29-24(30)25-22(18-4-8-20(31-2)9-5-18)23(26-29)19-6-10-21(32-3)11-7-19/h4-11H,12-17H2,1-3H3
InChIKey
PQVDOHYOUIVUAQ-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.22705 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.234326 212.3
[M+Na]+ 458.216268 218.8
[M-H]- 434.219774 217.5
[M+NH4]+ 453.260873 213.9
[M+K]+ 474.190208 211.5
[M+H-H2O]+ 418.224310 196.8
[M+HCOO]- 480.225251 224.4
[M+CH3COO]- 494.240901 218.3
[M+Na-2H]- 456.201716 212.0
[M]+ 435.22650142 212.6
[M]- 435.22759858 212.6
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.