CID 11080775

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

Structural Information

Molecular Formula
C22H15N5O2S2
SMILES
C1=CC=C(C=C1)N\2C(=CS/C2=N/NC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C22H15N5O2S2/c28-27(29)17-12-10-15(11-13-17)19-14-30-22(26(19)16-6-2-1-3-7-16)25-24-21-23-18-8-4-5-9-20(18)31-21/h1-14H,(H,23,24)/b25-22+
InChIKey
NYXKNKXKMJUHJM-YYDJUVGSSA-N
Compound name
N-[(E)-[4-(4-nitrophenyl)-3-phenyl-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

445.0667 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.07398 197.5
[M+Na]+ 468.05592 206.2
[M-H]- 444.05942 211.0
[M+NH4]+ 463.10052 208.2
[M+K]+ 484.02986 194.2
[M+H-H2O]+ 428.06396 192.9
[M+HCOO]- 490.06490 216.3
[M+CH3COO]- 504.08055 224.8
[M+Na-2H]- 466.04137 202.9
[M]+ 445.06615 199.5
[M]- 445.06725 199.5
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.