CID 341630

82619-57-6

Structural Information

Molecular Formula
C10H9N3OS
SMILES
C1C2=C(CS1)NC3=C(C=CC=N3)NC2=O
InChI
InChI=1S/C10H9N3OS/c14-10-6-4-15-5-8(6)12-9-7(13-10)2-1-3-11-9/h1-3H,4-5H2,(H,11,12)(H,13,14)
InChIKey
FGGMEKJKOVNCPW-UHFFFAOYSA-N
Compound name
5-thia-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),11,13-tetraen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.04663 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05391 146.0
[M+Na]+ 242.03585 154.2
[M-H]- 218.03935 146.5
[M+NH4]+ 237.08045 162.6
[M+K]+ 258.00979 152.3
[M+H-H2O]+ 202.04389 139.2
[M+HCOO]- 264.04483 156.4
[M+CH3COO]- 278.06048 156.5
[M+Na-2H]- 240.02130 149.2
[M]+ 219.04608 140.9
[M]- 219.04718 140.9
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.