CID 3088767

Brn 5961053

Structural Information

Molecular Formula
C11H15N5OS
SMILES
CCCCN1C2=CC(=NC(=S)N2N=C(C1=O)C)N
InChI
InChI=1S/C11H15N5OS/c1-3-4-5-15-9-6-8(12)13-11(18)16(9)14-7(2)10(15)17/h6H,3-5H2,1-2H3,(H2,12,13,18)
InChIKey
ZEDSVARYONNNDX-UHFFFAOYSA-N
Compound name
8-amino-1-butyl-3-methyl-6-sulfanylidenepyrimido[1,6-b][1,2,4]triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.09973 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10701 160.3
[M+Na]+ 288.08895 172.9
[M-H]- 264.09245 160.2
[M+NH4]+ 283.13355 173.7
[M+K]+ 304.06289 166.4
[M+H-H2O]+ 248.09699 152.2
[M+HCOO]- 310.09793 174.4
[M+CH3COO]- 324.11358 200.4
[M+Na-2H]- 286.07440 163.2
[M]+ 265.09918 164.1
[M]- 265.10028 164.1
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.