CID 5779713

Nsc603082

Structural Information

Molecular Formula
C10H5N5O4S2
SMILES
C1=CC(=CC=C1C2=CSC3=N/C(=N/[N+](=O)[O-])/SN23)[N+](=O)[O-]
InChI
InChI=1S/C10H5N5O4S2/c16-14(17)7-3-1-6(2-4-7)8-5-20-10-11-9(12-15(18)19)21-13(8)10/h1-5H/b12-9-
InChIKey
CZFICIFVDDYEPV-XFXZXTDPSA-N
Compound name
(NZ)-N-[6-(4-nitrophenyl)-[1,3]thiazolo[3,2-b][1,2,4]thiadiazol-2-ylidene]nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.9783 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.98558 168.0
[M+Na]+ 345.96752 175.9
[M-H]- 321.97102 175.7
[M+NH4]+ 341.01212 182.4
[M+K]+ 361.94146 163.5
[M+H-H2O]+ 305.97556 169.1
[M+HCOO]- 367.97650 186.4
[M+CH3COO]- 381.99215 194.5
[M+Na-2H]- 343.95297 175.9
[M]+ 322.97775 167.6
[M]- 322.97885 167.6
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.