CID 1301687

(5e)-5-[4-(diethylamino)benzylidene]-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C22H22N4OS
SMILES
CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)C)S2
InChI
InChI=1S/C22H22N4OS/c1-4-25(5-2)18-12-8-16(9-13-18)14-19-21(27)26-22(28-19)23-20(24-26)17-10-6-15(3)7-11-17/h6-14H,4-5H2,1-3H3/b19-14+
InChIKey
LCKZPNXSJSJYHO-XMHGGMMESA-N
Compound name
(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.15143 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15871 193.4
[M+Na]+ 413.14065 208.7
[M+NH4]+ 408.18525 201.0
[M+K]+ 429.11459 201.6
[M-H]- 389.14415 199.2
[M+Na-2H]- 411.12610 201.8
[M]+ 390.15088 197.8
[M]- 390.15198 197.8
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.