CID 5835106

73791-23-8

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]+ 335.08488 173.8
[M+Na]+ 357.06682 185.6
[M-H]- 333.07032 184.7
[M+NH4]+ 352.11142 194.1
[M+K]+ 373.04076 179.0
[M+H-H2O]+ 317.07486 166.2
[M+HCOO]- 379.07580 197.7
[M+CH3COO]- 393.09145 187.0
[M+Na-2H]- 355.05227 182.0
[M]+ 334.07705 179.6
[M]- 334.07815 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.