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

8
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 169.3
[M+Na]+ 348.03732 177.8
[M-H]- 324.04082 170.4
[M+NH4]+ 343.08192 177.4
[M+K]+ 364.01126 171.8
[M+H-H2O]+ 308.04536 160.8
[M+HCOO]- 370.04630 183.7
[M+CH3COO]- 384.06195 202.2
[M+Na-2H]- 346.02277 174.6
[M]+ 325.04755 169.0
[M]- 325.04865 169.0
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