CID 15955468

Nsc737736

Structural Information

Molecular Formula
C15H16N6O3S
SMILES
CC(C)N1C2=CC=CC=C2S(=O)(=O)N=C1NNC(=O)C3=NC=CN=C3
InChI
InChI=1S/C15H16N6O3S/c1-10(2)21-12-5-3-4-6-13(12)25(23,24)20-15(21)19-18-14(22)11-9-16-7-8-17-11/h3-10H,1-2H3,(H,18,22)(H,19,20)
InChIKey
KVPLUEWPTHKLFB-UHFFFAOYSA-N
Compound name
N'-(1,1-dioxo-4-propan-2-yl-1lambda6,2,4-benzothiadiazin-3-yl)pyrazine-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.10046 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.10774 179.1
[M+Na]+ 383.08968 187.8
[M-H]- 359.09318 181.8
[M+NH4]+ 378.13428 189.1
[M+K]+ 399.06362 182.7
[M+H-H2O]+ 343.09772 169.6
[M+HCOO]- 405.09866 192.3
[M+CH3COO]- 419.11431 188.1
[M+Na-2H]- 381.07513 185.6
[M]+ 360.09991 181.1
[M]- 360.10101 181.1
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.