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 212.3
[M+Na]+ 457.26864 217.7
[M-H]- 433.27214 221.9
[M+NH4]+ 452.31324 218.7
[M+K]+ 473.24258 213.9
[M+H-H2O]+ 417.27668 198.4
[M+HCOO]- 479.27762 234.7
[M+CH3COO]- 493.29327 250.3
[M+Na-2H]- 455.25409 213.2
[M]+ 434.27887 218.1
[M]- 434.27997 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.