CID 11038668

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

Structural Information

Molecular Formula
C22H14BrN5O2S2
SMILES
C1=CC=C2C(=C1)N=C(S2)N/N=C/3\N(C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Br
InChI
InChI=1S/C22H14BrN5O2S2/c23-15-7-11-16(12-8-15)27-19(14-5-9-17(10-6-14)28(29)30)13-31-22(27)26-25-21-24-18-3-1-2-4-20(18)32-21/h1-13H,(H,24,25)/b26-22+
InChIKey
ISGKPPFKWDCZEW-XTCLZLMSSA-N
Compound name
N-[(E)-[3-(4-bromophenyl)-4-(4-nitrophenyl)-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

522.97723 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.98451 194.6
[M+Na]+ 545.96645 206.6
[M-H]- 521.96995 210.3
[M+NH4]+ 541.01105 206.8
[M+K]+ 561.94039 188.8
[M+H-H2O]+ 505.97449 196.9
[M+HCOO]- 567.97543 211.6
[M+CH3COO]- 581.99108 232.4
[M+Na-2H]- 543.95190 201.7
[M]+ 522.97668 215.7
[M]- 522.97778 215.7
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.