CID 68877

Metrazifone

Structural Information

Molecular Formula
C20H23N5O
SMILES
CN1C(=O)N=C(C(=N1)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C20H23N5O/c1-23(2)16-10-6-14(7-11-16)18-19(22-25(5)20(26)21-18)15-8-12-17(13-9-15)24(3)4/h6-13H,1-5H3
InChIKey
FBZHCUQUPMUOCR-UHFFFAOYSA-N
Compound name
5,6-bis[4-(dimethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

34
Patents

349.19025 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.197526 186.7
[M+Na]+ 372.179468 195.3
[M-H]- 348.182974 195.9
[M+NH4]+ 367.224073 196.4
[M+K]+ 388.153408 191.0
[M+H-H2O]+ 332.187510 174.4
[M+HCOO]- 394.188451 209.4
[M+CH3COO]- 408.204101 227.6
[M+Na-2H]- 370.164916 190.1
[M]+ 349.18970142 190.4
[M]- 349.19079858 190.4
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