CID 3051990

As-triazin-3(2h)-one, 5,6-bis(p-(dimethylamino)phenyl)-2-(3-(dimethylamino)propyl)-

Structural Information

Molecular Formula
C24H32N6O
SMILES
CN(C)CCCN1C(=O)N=C(C(=N1)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C24H32N6O/c1-27(2)16-7-17-30-24(31)25-22(18-8-12-20(13-9-18)28(3)4)23(26-30)19-10-14-21(15-11-19)29(5)6/h8-15H,7,16-17H2,1-6H3
InChIKey
BGXUFYCVKFZTCC-UHFFFAOYSA-N
Compound name
5,6-bis[4-(dimethylamino)phenyl]-2-[3-(dimethylamino)propyl]-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.26376 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.27104 205.1
[M+Na]+ 443.25298 219.2
[M+NH4]+ 438.29758 210.9
[M+K]+ 459.22692 211.8
[M-H]- 419.25648 212.4
[M+Na-2H]- 441.23843 215.0
[M]+ 420.26321 209.2
[M]- 420.26431 209.2
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.