CID 926134

Thiazolo(2,3-c)-1,2,4-triazol-5(6h)-one, 6-((4-(diethylamino)phenyl)methylene)-3-methyl-

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]+ 315.127396 173.8
[M+Na]+ 337.109338 186.1
[M-H]- 313.112844 181.0
[M+NH4]+ 332.153943 191.1
[M+K]+ 353.083278 181.1
[M+H-H2O]+ 297.117380 166.0
[M+HCOO]- 359.118321 193.7
[M+CH3COO]- 373.133971 186.6
[M+Na-2H]- 335.094786 173.3
[M]+ 314.11957142 181.8
[M]- 314.12066858 181.8
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.