CID 10896989

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

Structural Information

Molecular Formula
C22H14Br2N4S2
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)Br
InChI
InChI=1S/C22H14Br2N4S2/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
NYWGGWCGMCUZGK-HPNDGRJYSA-N
Compound name
N-[(E)-[3,4-bis(4-bromophenyl)-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

555.90265 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.90993 172.9
[M+Na]+ 578.89187 187.1
[M-H]- 554.89537 187.9
[M+NH4]+ 573.93647 187.3
[M+K]+ 594.86581 171.0
[M+H-H2O]+ 538.89991 181.8
[M+HCOO]- 600.90085 186.0
[M+CH3COO]- 614.91650 186.4
[M+Na-2H]- 576.87732 178.2
[M]+ 555.90210 210.4
[M]- 555.90320 210.4
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.