CID 926134

Brn 5590227

Structural Information

Molecular Formula
C16H18N4OS
SMILES
CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NN=C3S2)C
InChI
InChI=1S/C16H18N4OS/c1-4-19(5-2)13-8-6-12(7-9-13)10-14-15(21)20-11(3)17-18-16(20)22-14/h6-10H,4-5H2,1-3H3/b14-10+
InChIKey
GSGGWKQLGLSEPQ-GXDHUFHOSA-N
Compound name
(6E)-6-[[4-(diethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.12012 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12740 173.3
[M+Na]+ 337.10934 186.5
[M+NH4]+ 332.15394 180.8
[M+K]+ 353.08328 180.9
[M-H]- 313.11284 176.4
[M+Na-2H]- 335.09479 179.2
[M]+ 314.11957 176.5
[M]- 314.12067 176.5
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.