CID 10994852

2(3h)-thiazolone, 4-(4-bromophenyl)-3-(4-chlorophenyl)-, 2-benzothiazolylhydrazone, (2e)-

Structural Information

Molecular Formula
C22H14BrClN4S2
SMILES
C1=CC=C2C(=C1)N=C(S2)N/N=C/3\N(C(=CS3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C22H14BrClN4S2/c23-15-7-5-14(6-8-15)19-13-29-22(28(19)17-11-9-16(24)10-12-17)27-26-21-25-18-3-1-2-4-20(18)30-21/h1-13H,(H,25,26)/b27-22+
InChIKey
LXXPTOCXQBDCMX-HPNDGRJYSA-N
Compound name
N-[(E)-[4-(4-bromophenyl)-3-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

511.9532 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.96048 193.7
[M+Na]+ 534.94242 210.8
[M-H]- 510.94592 210.0
[M+NH4]+ 529.98702 209.3
[M+K]+ 550.91636 195.2
[M+H-H2O]+ 494.95046 193.9
[M+HCOO]- 556.95140 206.4
[M+CH3COO]- 570.96705 207.4
[M+Na-2H]- 532.92787 197.3
[M]+ 511.95265 219.2
[M]- 511.95375 219.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.