CID 2061016

Tubosan

Structural Information

Molecular Formula
C11H11N5O5S
SMILES
CC1=C(C(=O)NC(=O)N1)S(=O)(=O)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C11H11N5O5S/c1-6-8(10(18)14-11(19)13-6)22(20,21)16-15-9(17)7-2-4-12-5-3-7/h2-5,16H,1H3,(H,15,17)(H2,13,14,18,19)
InChIKey
WMPAXWJRRGZHCP-UHFFFAOYSA-N
Compound name
N'-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

325.0481 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.05538 167.5
[M+Na]+ 348.03732 177.0
[M+NH4]+ 343.08192 169.9
[M+K]+ 364.01126 173.3
[M-H]- 324.04082 166.4
[M+Na-2H]- 346.02277 172.2
[M]+ 325.04755 168.3
[M]- 325.04865 168.3
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

patents stripe