CID 3051992

1,2,4-triazin-3(2h)-one, 5,6-bis(4-(dimethylamino)phenyl)-2-(3-methyl-2-butenyl)-

Structural Information

Molecular Formula
C24H29N5O
SMILES
CC(=CCN1C(=O)N=C(C(=N1)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C
InChI
InChI=1S/C24H29N5O/c1-17(2)15-16-29-24(30)25-22(18-7-11-20(12-8-18)27(3)4)23(26-29)19-9-13-21(14-10-19)28(5)6/h7-15H,16H2,1-6H3
InChIKey
NGCKAAIIUZLLGJ-UHFFFAOYSA-N
Compound name
5,6-bis[4-(dimethylamino)phenyl]-2-(3-methylbut-2-enyl)-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.2372 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.24448 200.6
[M+Na]+ 426.22642 215.5
[M+NH4]+ 421.27102 206.3
[M+K]+ 442.20036 207.8
[M-H]- 402.22992 206.9
[M+Na-2H]- 424.21187 210.1
[M]+ 403.23665 204.5
[M]- 403.23775 204.5
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.