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]+ 436.23433 212.3
[M+Na]+ 458.21627 218.8
[M-H]- 434.21977 217.5
[M+NH4]+ 453.26087 213.9
[M+K]+ 474.19021 211.5
[M+H-H2O]+ 418.22431 196.8
[M+HCOO]- 480.22525 224.4
[M+CH3COO]- 494.24090 218.3
[M+Na-2H]- 456.20172 212.0
[M]+ 435.22650 212.6
[M]- 435.22760 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.