CID 84732

Dtxsid10888699

Structural Information

Molecular Formula
C16H16N5O3S
SMILES
CN1C2=C(C=C(C=C2)OC)SC1=[N+]=NN(C)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H16N5O3S/c1-19-14-9-8-13(24-3)10-15(14)25-16(19)17-18-20(2)11-4-6-12(7-5-11)21(22)23/h4-10H,1-3H3/q+1
InChIKey
YLNKSBNIQQLVTR-UHFFFAOYSA-N
Compound name
(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-[methyl-(4-nitrophenyl)hydrazinylidene]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

358.09738 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10466 180.1
[M+Na]+ 381.08660 187.3
[M-H]- 357.09010 191.2
[M+NH4]+ 376.13120 194.2
[M+K]+ 397.06054 174.5
[M+H-H2O]+ 341.09464 177.3
[M+HCOO]- 403.09558 205.7
[M+CH3COO]- 417.11123 212.8
[M+Na-2H]- 379.07205 189.5
[M]+ 358.09683 183.6
[M]- 358.09793 183.6
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.