CID 135409127

Nsc658722

Structural Information

Molecular Formula
C15H11N3O4S
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)S(=O)(=O)O
InChI
InChI=1S/C15H11N3O4S/c19-13-15(18-17-14(16-13)23(20,21)22)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8,18H,(H,16,17,19)(H,20,21,22)
InChIKey
HQRUTGWZIQKPRF-UHFFFAOYSA-N
Compound name
5-oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.04703 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.05431 173.5
[M+Na]+ 352.03625 184.4
[M-H]- 328.03975 174.0
[M+NH4]+ 347.08085 188.2
[M+K]+ 368.01019 177.5
[M+H-H2O]+ 312.04429 167.3
[M+HCOO]- 374.04523 181.5
[M+CH3COO]- 388.06088 183.0
[M+Na-2H]- 350.02170 180.1
[M]+ 329.04648 172.9
[M]- 329.04758 172.9
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.