CID 3575112

453555-03-8

Structural Information

Molecular Formula
C16H18N6O2S2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NN=C(S3)N
InChI
InChI=1S/C16H18N6O2S2/c1-9-12(14(24)22(21(9)3)11-7-5-4-6-8-11)18-13(23)10(2)25-16-20-19-15(17)26-16/h4-8,10H,1-3H3,(H2,17,19)(H,18,23)
InChIKey
SSBKHOFUKIKJGH-UHFFFAOYSA-N
Compound name
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.09326 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.10054 187.5
[M+Na]+ 413.08248 198.1
[M+NH4]+ 408.12708 192.5
[M+K]+ 429.05642 193.6
[M-H]- 389.08598 190.7
[M+Na-2H]- 411.06793 192.8
[M]+ 390.09271 190.5
[M]- 390.09381 190.5
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.