CID 3042386

1,2,4-triazine, 5,6-bis(4-methoxyphenyl)-3-(4-methyl-1-piperazinyl)-

Structural Information

Molecular Formula
C22H25N5O2
SMILES
CN1CCN(CC1)C2=NC(=C(N=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H25N5O2/c1-26-12-14-27(15-13-26)22-23-20(16-4-8-18(28-2)9-5-16)21(24-25-22)17-6-10-19(29-3)11-7-17/h4-11H,12-15H2,1-3H3
InChIKey
NZRDOPRVCQUVOK-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

391.20084 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.20812 198.7
[M+Na]+ 414.19006 215.7
[M+NH4]+ 409.23466 204.6
[M+K]+ 430.16400 207.1
[M-H]- 390.19356 204.7
[M+Na-2H]- 412.17551 209.1
[M]+ 391.20029 202.9
[M]- 391.20139 202.9
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

patents stripe