CID 384553

Nsc674567

Structural Information

Molecular Formula
C35H24N4O4S
SMILES
C1C(=O)N(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7
InChI
InChI=1S/C35H24N4O4S/c40-32-22-44-35(26-9-6-10-29(21-26)39(42)43)37(32)27-17-13-23(14-18-27)24-15-19-28(20-16-24)38-33(25-7-2-1-3-8-25)36-31-12-5-4-11-30(31)34(38)41/h1-21,35H,22H2
InChIKey
XANGYFXKCZCTHO-UHFFFAOYSA-N
Compound name
2-(3-nitrophenyl)-3-[4-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]phenyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.15186 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.15914 244.1
[M+Na]+ 619.14108 248.2
[M-H]- 595.14458 258.7
[M+NH4]+ 614.18568 242.6
[M+K]+ 635.11502 235.0
[M+H-H2O]+ 579.14912 232.8
[M+HCOO]- 641.15006 255.0
[M+CH3COO]- 655.16571 251.1
[M+Na-2H]- 617.12653 243.6
[M]+ 596.15131 241.1
[M]- 596.15241 241.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.