CID 44150558

Brn 4535566

Structural Information

Molecular Formula
C13H14N4O2S
SMILES
C1CC(=CC(=O)C1)NNC(=O)C2=CN=C3N(C2)C=CS3
InChI
InChI=1S/C13H14N4O2S/c18-11-3-1-2-10(6-11)15-16-12(19)9-7-14-13-17(8-9)4-5-20-13/h4-7,15H,1-3,8H2,(H,16,19)
InChIKey
BGHDHUTYNRKMOO-UHFFFAOYSA-N
Compound name
N'-(3-oxocyclohexen-1-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.08374 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09102 162.2
[M+Na]+ 313.07296 171.4
[M+NH4]+ 308.11756 169.6
[M+K]+ 329.04690 165.8
[M-H]- 289.07646 165.3
[M+Na-2H]- 311.05841 167.3
[M]+ 290.08319 164.4
[M]- 290.08429 164.4
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.