CID 9570197

Methyl 3-(5-nitrofurfurylidene)dithiocarbazate

Structural Information

Molecular Formula
C7H7N3O3S2
SMILES
CSC(=S)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C7H7N3O3S2/c1-15-7(14)9-8-4-5-2-3-6(13-5)10(11)12/h2-4H,1H3,(H,9,14)/b8-4+
InChIKey
NTPNGNSTFXJKBZ-XBXARRHUSA-N
Compound name
methyl N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.99289 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.00017 149.0
[M+Na]+ 267.98211 157.1
[M+NH4]+ 263.02671 156.2
[M+K]+ 283.95605 153.6
[M-H]- 243.98561 153.0
[M+Na-2H]- 265.96756 151.7
[M]+ 244.99234 151.7
[M]- 244.99344 151.7
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.