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 200.8
[M+Na]+ 414.19006 207.5
[M-H]- 390.19356 206.0
[M+NH4]+ 409.23466 204.2
[M+K]+ 430.16400 200.3
[M+H-H2O]+ 374.19810 185.7
[M+HCOO]- 436.19904 213.4
[M+CH3COO]- 450.21469 207.6
[M+Na-2H]- 412.17551 202.3
[M]+ 391.20029 199.5
[M]- 391.20139 199.5
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