CID 6373892

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

Structural Information

Molecular Formula
C19H15BrN4OS
SMILES
CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2
InChI
InChI=1S/C19H15BrN4OS/c1-23(2)15-9-3-12(4-10-15)11-16-18(25)24-19(26-16)21-17(22-24)13-5-7-14(20)8-6-13/h3-11H,1-2H3/b16-11+
InChIKey
NWGMKNSVWNOAEH-LFIBNONCSA-N
Compound name
(5E)-2-(4-bromophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-[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

426.01498 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.02226 184.3
[M+Na]+ 449.00420 200.1
[M-H]- 425.00770 197.3
[M+NH4]+ 444.04880 200.8
[M+K]+ 464.97814 187.1
[M+H-H2O]+ 409.01224 183.2
[M+HCOO]- 471.01318 202.8
[M+CH3COO]- 485.02883 198.6
[M+Na-2H]- 446.98965 186.0
[M]+ 426.01443 209.4
[M]- 426.01553 209.4
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.