CID 6102777

N-(1,4-dihydro-5h-tetrazol-5-ylidene)-9-oxo-9h-xanthene-2-sulfonamide

Structural Information

Molecular Formula
C14H9N5O4S
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)S(=O)(=O)NC4=NNN=N4
InChI
InChI=1S/C14H9N5O4S/c20-13-9-3-1-2-4-11(9)23-12-6-5-8(7-10(12)13)24(21,22)17-14-15-18-19-16-14/h1-7H,(H2,15,16,17,18,19)
InChIKey
HJWYZPGYPZNDTN-UHFFFAOYSA-N
Compound name
9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.03754 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.04482 173.8
[M+Na]+ 366.02676 186.7
[M-H]- 342.03026 178.4
[M+NH4]+ 361.07136 183.9
[M+K]+ 382.00070 181.3
[M+H-H2O]+ 326.03480 165.8
[M+HCOO]- 388.03574 188.2
[M+CH3COO]- 402.05139 184.9
[M+Na-2H]- 364.01221 183.2
[M]+ 343.03699 179.3
[M]- 343.03809 179.3
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.