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 195.6
[M+Na]+ 413.14065 207.3
[M-H]- 389.14415 205.8
[M+NH4]+ 408.18525 209.4
[M+K]+ 429.11459 200.4
[M+H-H2O]+ 373.14869 186.5
[M+HCOO]- 435.14963 214.8
[M+CH3COO]- 449.16528 206.9
[M+Na-2H]- 411.12610 193.6
[M]+ 390.15088 203.4
[M]- 390.15198 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.