CID 5835106

1-anthraldehyde, 3-thienylhydrazone, s,s-dioxide

Structural Information

Molecular Formula
C19H14N2O2S
SMILES
C1=CC=C2C=C3C(=CC2=C1)C=CC=C3/C=N\NC4=CS(=O)(=O)C=C4
InChI
InChI=1S/C19H14N2O2S/c22-24(23)9-8-18(13-24)21-20-12-17-7-3-6-16-10-14-4-1-2-5-15(14)11-19(16)17/h1-13,21H/b20-12-
InChIKey
QPUQFSIJGWYSIU-NDENLUEZSA-N
Compound name
N-[(Z)-anthracen-1-ylmethylideneamino]-1,1-dioxothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0776 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.084876 173.8
[M+Na]+ 357.066818 185.6
[M-H]- 333.070324 184.7
[M+NH4]+ 352.111423 194.1
[M+K]+ 373.040758 179.0
[M+H-H2O]+ 317.074860 166.2
[M+HCOO]- 379.075801 197.7
[M+CH3COO]- 393.091451 187.0
[M+Na-2H]- 355.052266 182.0
[M]+ 334.07705142 179.6
[M]- 334.07814858 179.6
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.