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 202.9
[M+Na]+ 426.22642 209.7
[M-H]- 402.22992 211.5
[M+NH4]+ 421.27102 210.3
[M+K]+ 442.20036 204.6
[M+H-H2O]+ 386.23446 190.1
[M+HCOO]- 448.23540 223.5
[M+CH3COO]- 462.25105 238.8
[M+Na-2H]- 424.21187 203.3
[M]+ 403.23665 206.6
[M]- 403.23775 206.6
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