CID 11090667

2(3h)-thiazolone, 3,4-diphenyl-, 2-benzothiazolylhydrazone, (2e)-

Structural Information

Molecular Formula
C22H16N4S2
SMILES
C1=CC=C(C=C1)C2=CS/C(=N/NC3=NC4=CC=CC=C4S3)/N2C5=CC=CC=C5
InChI
InChI=1S/C22H16N4S2/c1-3-9-16(10-4-1)19-15-27-22(26(19)17-11-5-2-6-12-17)25-24-21-23-18-13-7-8-14-20(18)28-21/h1-15H,(H,23,24)/b25-22+
InChIKey
UWOPQCYODCNTEA-YYDJUVGSSA-N
Compound name
N-[(E)-(3,4-diphenyl-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

400.08163 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.08891 188.9
[M+Na]+ 423.07085 201.4
[M-H]- 399.07435 202.8
[M+NH4]+ 418.11545 203.3
[M+K]+ 439.04479 192.7
[M+H-H2O]+ 383.07889 181.1
[M+HCOO]- 445.07983 207.8
[M+CH3COO]- 459.09548 200.7
[M+Na-2H]- 421.05630 191.8
[M]+ 400.08108 193.7
[M]- 400.08218 193.7
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.