CID 135409130

Nsc658728

Structural Information

Molecular Formula
C16H12N4OS2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)SC(=S)N
InChI
InChI=1S/C16H12N4OS2/c17-14(22)23-15-18-13(21)16(20-19-15)11-7-3-1-5-9(11)10-6-2-4-8-12(10)16/h1-8,20H,(H2,17,22)(H,18,19,21)
InChIKey
RIGXAYDTYVPTJC-UHFFFAOYSA-N
Compound name
(5-oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl) carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.04526 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.05254 169.7
[M+Na]+ 363.03448 180.2
[M-H]- 339.03798 170.0
[M+NH4]+ 358.07908 184.8
[M+K]+ 379.00842 171.3
[M+H-H2O]+ 323.04252 164.3
[M+HCOO]- 385.04346 174.3
[M+CH3COO]- 399.05911 178.6
[M+Na-2H]- 361.01993 173.3
[M]+ 340.04471 167.7
[M]- 340.04581 167.7
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.