CID 3051988

St 767

Structural Information

Molecular Formula
C25H32N6O2
SMILES
CN(C)C1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)N(C)C)CCN4CCOCC4
InChI
InChI=1S/C25H32N6O2/c1-28(2)21-9-5-19(6-10-21)23-24(20-7-11-22(12-8-20)29(3)4)27-31(25(32)26-23)14-13-30-15-17-33-18-16-30/h5-12H,13-18H2,1-4H3
InChIKey
NGERSSOUBJUYDF-UHFFFAOYSA-N
Compound name
5,6-bis[4-(dimethylamino)phenyl]-2-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.25867 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.26595 215.4
[M+Na]+ 471.24789 219.7
[M-H]- 447.25139 225.0
[M+NH4]+ 466.29249 217.1
[M+K]+ 487.22183 215.5
[M+H-H2O]+ 431.25593 199.9
[M+HCOO]- 493.25687 230.9
[M+CH3COO]- 507.27252 221.9
[M+Na-2H]- 469.23334 216.0
[M]+ 448.25812 215.9
[M]- 448.25922 215.9
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

No patent data available for this compound.