CID 353111

Nsc600269

Structural Information

Molecular Formula
C11H10N4OS
SMILES
CCN1C(=N)SC2=NC3=CC=CC=C3N2C1=O
InChI
InChI=1S/C11H10N4OS/c1-2-14-9(12)17-10-13-7-5-3-4-6-8(7)15(10)11(14)16/h3-6,12H,2H2,1H3
InChIKey
SQVAJZQVSQNTQC-UHFFFAOYSA-N
Compound name
3-ethyl-2-imino-[1,3,5]thiadiazino[3,2-a]benzimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.05753 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06481 150.4
[M+Na]+ 269.04675 164.8
[M-H]- 245.05025 153.8
[M+NH4]+ 264.09135 169.1
[M+K]+ 285.02069 158.8
[M+H-H2O]+ 229.05479 143.6
[M+HCOO]- 291.05573 168.9
[M+CH3COO]- 305.07138 164.1
[M+Na-2H]- 267.03220 156.7
[M]+ 246.05698 155.9
[M]- 246.05808 155.9
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.