CID 3069210

St 881

Structural Information

Molecular Formula
C25H31N5O3
SMILES
CN1CCN(CC1)CCCN2C(=O)N=C(C(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H31N5O3/c1-28-15-17-29(18-16-28)13-4-14-30-25(31)26-23(19-5-9-21(32-2)10-6-19)24(27-30)20-7-11-22(33-3)12-8-20/h5-12H,4,13-18H2,1-3H3
InChIKey
MKBAUXQPMFQVLR-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.24268 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.24996 214.3
[M+Na]+ 472.23190 230.5
[M+NH4]+ 467.27650 218.9
[M+K]+ 488.20584 222.0
[M-H]- 448.23540 219.6
[M+Na-2H]- 470.21735 223.1
[M]+ 449.24213 218.1
[M]- 449.24323 218.1
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.