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 150.0
[M+Na]+ 267.98211 156.4
[M-H]- 243.98561 155.5
[M+NH4]+ 263.02671 167.3
[M+K]+ 283.95605 149.7
[M+H-H2O]+ 227.99015 147.5
[M+HCOO]- 289.99109 167.5
[M+CH3COO]- 304.00674 187.5
[M+Na-2H]- 265.96756 153.7
[M]+ 244.99234 150.4
[M]- 244.99344 150.4
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.