CID 310241

Nsc213718

Structural Information

Molecular Formula
C15H18N3O3PS2
SMILES
CCOP(OCC)SSCN1C(=O)N2C(=N1)C=CC3=CC=CC=C32
InChI
InChI=1S/C15H18N3O3PS2/c1-3-20-22(21-4-2)24-23-11-17-15(19)18-13-8-6-5-7-12(13)9-10-14(18)16-17/h5-10H,3-4,11H2,1-2H3
InChIKey
SBCUOWHGAPLDGD-UHFFFAOYSA-N
Compound name
2-[(diethoxyphosphanyldisulfanyl)methyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.05273 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.06001 175.9
[M+Na]+ 406.04195 185.8
[M-H]- 382.04545 176.6
[M+NH4]+ 401.08655 189.4
[M+K]+ 422.01589 181.3
[M+H-H2O]+ 366.04999 166.4
[M+HCOO]- 428.05093 191.7
[M+CH3COO]- 442.06658 216.3
[M+Na-2H]- 404.02740 174.9
[M]+ 383.05218 186.7
[M]- 383.05328 186.7
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.