CID 11730511

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

Structural Information

Molecular Formula
C22H14ClN5O2S2
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)Cl
InChI
InChI=1S/C22H14ClN5O2S2/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
OVJWHGGLCYGYJQ-XTCLZLMSSA-N
Compound name
N-[(E)-[3-(4-chlorophenyl)-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

479.02774 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.03502 207.7
[M+Na]+ 502.01696 217.1
[M-H]- 478.02046 221.1
[M+NH4]+ 497.06156 217.9
[M+K]+ 517.99090 204.6
[M+H-H2O]+ 462.02500 203.6
[M+HCOO]- 524.02594 221.6
[M+CH3COO]- 538.04159 229.2
[M+Na-2H]- 500.00241 211.6
[M]+ 479.02719 212.2
[M]- 479.02829 212.2
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.