CID 2929036

617697-22-0

Structural Information

Molecular Formula
C15H15N5O2S
SMILES
COCCN1C2=C(C=C(C1=N)C(=S)N)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C15H15N5O2S/c1-22-7-6-20-12(16)9(13(17)23)8-10-14(20)18-11-4-2-3-5-19(11)15(10)21/h2-5,8,16H,6-7H2,1H3,(H2,17,23)
InChIKey
XTTXTQHMXRTYMZ-UHFFFAOYSA-N
Compound name
6-imino-7-(2-methoxyethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.09464 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10192 173.2
[M+Na]+ 352.08386 187.3
[M+NH4]+ 347.12846 179.5
[M+K]+ 368.05780 178.8
[M-H]- 328.08736 175.3
[M+Na-2H]- 350.06931 178.4
[M]+ 329.09409 176.1
[M]- 329.09519 176.1
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.