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 207.9
[M+Na]+ 443.25298 213.8
[M-H]- 419.25648 217.7
[M+NH4]+ 438.29758 214.9
[M+K]+ 459.22692 210.2
[M+H-H2O]+ 403.26102 194.3
[M+HCOO]- 465.26196 230.7
[M+CH3COO]- 479.27761 247.5
[M+Na-2H]- 441.23843 209.3
[M]+ 420.26321 213.5
[M]- 420.26431 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

patents stripe