CID 11970642

Amibuzin

Structural Information

Molecular Formula
C10H18N4O
SMILES
CC(C)(C)C1=NN=C(N(C1=O)C)N(C)C
InChI
InChI=1S/C10H18N4O/c1-10(2,3)7-8(15)14(6)9(12-11-7)13(4)5/h1-6H3
InChIKey
HVHHQHTXTGUMSR-UHFFFAOYSA-N
Compound name
6-tert-butyl-3-(dimethylamino)-4-methyl-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5241
Patents

210.14806 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.155336 148.8
[M+Na]+ 233.137278 158.9
[M-H]- 209.140784 150.9
[M+NH4]+ 228.181883 165.1
[M+K]+ 249.111218 157.8
[M+H-H2O]+ 193.145320 141.2
[M+HCOO]- 255.146261 169.4
[M+CH3COO]- 269.161911 195.3
[M+Na-2H]- 231.122726 154.8
[M]+ 210.14751142 152.5
[M]- 210.14860858 152.5
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