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]+ 391.158706 195.6
[M+Na]+ 413.140648 207.3
[M-H]- 389.144154 205.8
[M+NH4]+ 408.185253 209.4
[M+K]+ 429.114588 200.4
[M+H-H2O]+ 373.148690 186.5
[M+HCOO]- 435.149631 214.8
[M+CH3COO]- 449.165281 206.9
[M+Na-2H]- 411.126096 193.6
[M]+ 390.15088142 203.4
[M]- 390.15197858 203.4
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.