CID 1937572

329921-17-7

Structural Information

Molecular Formula
C15H16N6O2S2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=C(S3)N
InChI
InChI=1S/C15H16N6O2S2/c1-9-12(17-11(22)8-24-15-19-18-14(16)25-15)13(23)21(20(9)2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,16,18)(H,17,22)
InChIKey
GIWWICXKOBQTHD-UHFFFAOYSA-N
Compound name
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

376.0776 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08488 183.3
[M+Na]+ 399.06682 195.6
[M-H]- 375.07032 190.3
[M+NH4]+ 394.11142 194.7
[M+K]+ 415.04076 188.4
[M+H-H2O]+ 359.07486 175.8
[M+HCOO]- 421.07580 197.7
[M+CH3COO]- 435.09145 194.0
[M+Na-2H]- 397.05227 180.5
[M]+ 376.07705 189.2
[M]- 376.07815 189.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.