CID 3087982

Brn 5030543

Structural Information

Molecular Formula
C11H13N3OS
SMILES
CCC1=NN2C(=O)C3=C(CCCC3)N=C2S1
InChI
InChI=1S/C11H13N3OS/c1-2-9-13-14-10(15)7-5-3-4-6-8(7)12-11(14)16-9/h2-6H2,1H3
InChIKey
JHYUAMZGJCEADC-UHFFFAOYSA-N
Compound name
2-ethyl-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.07793 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08521 149.0
[M+Na]+ 258.06715 161.1
[M-H]- 234.07065 151.3
[M+NH4]+ 253.11175 168.1
[M+K]+ 274.04109 156.4
[M+H-H2O]+ 218.07519 142.1
[M+HCOO]- 280.07613 163.6
[M+CH3COO]- 294.09178 161.8
[M+Na-2H]- 256.05260 153.3
[M]+ 235.07738 152.6
[M]- 235.07848 152.6
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

No patent data available for this compound.