CID 3438787

303059-60-1

Structural Information

Molecular Formula
C14H13N5O4S3
SMILES
C1=CC2=C(C=C1S(=O)(=O)N)C(=NNC(=S)N)C3=C2C=CC(=C3)S(=O)(=O)N
InChI
InChI=1S/C14H13N5O4S3/c15-14(24)19-18-13-11-5-7(25(16,20)21)1-3-9(11)10-4-2-8(6-12(10)13)26(17,22)23/h1-6H,(H3,15,19,24)(H2,16,20,21)(H2,17,22,23)
InChIKey
ASAAIOIQCAEUKF-UHFFFAOYSA-N
Compound name
[(2,7-disulfamoylfluoren-9-ylidene)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.01297 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.02025 186.8
[M+Na]+ 434.00219 193.7
[M-H]- 410.00569 189.1
[M+NH4]+ 429.04679 199.1
[M+K]+ 449.97613 185.9
[M+H-H2O]+ 394.01023 181.1
[M+HCOO]- 456.01117 194.4
[M+CH3COO]- 470.02682 229.6
[M+Na-2H]- 431.98764 195.0
[M]+ 411.01242 186.2
[M]- 411.01352 186.2
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

No patent data available for this compound.