CID 11777277

Akos002086004

Structural Information

Molecular Formula
C12H10N4OS
SMILES
C=CCNC1=NN2C(=O)C3=CC=CC=C3N=C2S1
InChI
InChI=1S/C12H10N4OS/c1-2-7-13-11-15-16-10(17)8-5-3-4-6-9(8)14-12(16)18-11/h2-6H,1,7H2,(H,13,15)
InChIKey
IWVHPGRHHKBZHV-UHFFFAOYSA-N
Compound name
2-(prop-2-enylamino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.05753 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06481 153.6
[M+Na]+ 281.04675 166.6
[M-H]- 257.05025 156.4
[M+NH4]+ 276.09135 171.4
[M+K]+ 297.02069 160.5
[M+H-H2O]+ 241.05479 146.3
[M+HCOO]- 303.05573 171.8
[M+CH3COO]- 317.07138 166.5
[M+Na-2H]- 279.03220 160.2
[M]+ 258.05698 159.0
[M]- 258.05808 159.0
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.