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
1
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]+ 350.19753 186.7
[M+Na]+ 372.17947 195.3
[M-H]- 348.18297 195.9
[M+NH4]+ 367.22407 196.4
[M+K]+ 388.15341 191.0
[M+H-H2O]+ 332.18751 174.4
[M+HCOO]- 394.18845 209.4
[M+CH3COO]- 408.20410 227.6
[M+Na-2H]- 370.16492 190.1
[M]+ 349.18970 190.4
[M]- 349.19080 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