CID 236321

6332-80-5

Structural Information

Molecular Formula
C14H12N2OS2
SMILES
CC(=O)NC1=CC=C(C=C1)S2=NC3=CC=CC=C3S2
InChI
InChI=1S/C14H12N2OS2/c1-10(17)15-11-6-8-12(9-7-11)19-16-13-4-2-3-5-14(13)18-19/h2-9H,1H3,(H,15,17)
InChIKey
YEFOAJOLLYTBBU-UHFFFAOYSA-N
Compound name
N-[4-(7,8lambda4-dithia-9-azabicyclo[4.3.0]nona-1,3,5,8-tetraen-8-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0391 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04638 160.2
[M+Na]+ 311.02832 170.3
[M-H]- 287.03182 167.0
[M+NH4]+ 306.07292 178.2
[M+K]+ 327.00226 164.2
[M+H-H2O]+ 271.03636 153.9
[M+HCOO]- 333.03730 174.0
[M+CH3COO]- 347.05295 172.3
[M+Na-2H]- 309.01377 162.6
[M]+ 288.03855 163.3
[M]- 288.03965 163.3
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.