CID 3066724

2,3-dihydro-2-imino-3-phenyl-5h-1,3,4-thiadiazolo(2,3-b)quinazolin-5-one

Structural Information

Molecular Formula
C15H10N4OS
SMILES
C1=CC=C(C=C1)N2C(=N)SC3=NC4=CC=CC=C4C(=O)N32
InChI
InChI=1S/C15H10N4OS/c16-14-18(10-6-2-1-3-7-10)19-13(20)11-8-4-5-9-12(11)17-15(19)21-14/h1-9,16H
InChIKey
YZICCQWXPWTJGG-UHFFFAOYSA-N
Compound name
2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.05753 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06481 162.5
[M+Na]+ 317.04675 179.8
[M+NH4]+ 312.09135 171.5
[M+K]+ 333.02069 171.0
[M-H]- 293.05025 167.4
[M+Na-2H]- 315.03220 171.8
[M]+ 294.05698 167.0
[M]- 294.05808 167.0
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.