CID 3051991

St 790

Structural Information

Molecular Formula
C25H34N6O
SMILES
CCN(CC)CCN1C(=O)N=C(C(=N1)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C25H34N6O/c1-7-30(8-2)17-18-31-25(32)26-23(19-9-13-21(14-10-19)28(3)4)24(27-31)20-11-15-22(16-12-20)29(5)6/h9-16H,7-8,17-18H2,1-6H3
InChIKey
DWJREWROEBJUHS-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.27942 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.28670 209.5
[M+Na]+ 457.26864 223.4
[M+NH4]+ 452.31324 215.1
[M+K]+ 473.24258 215.7
[M-H]- 433.27214 216.7
[M+Na-2H]- 455.25409 219.1
[M]+ 434.27887 213.5
[M]- 434.27997 213.5
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

No patent data available for this compound.