CID 135493889

Nsc673307

Structural Information

Molecular Formula
C32H25N5O5S2
SMILES
CC1=C(C=CC(=C1)/C(=N\O)/C2=CC=CC=C2C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)S(=O)(=O)NC6=NC=CS6)OC
InChI
InChI=1S/C32H25N5O5S2/c1-20-19-21(11-16-28(20)42-2)29(35-39)24-7-3-4-8-25(24)30-34-27-10-6-5-9-26(27)31(38)37(30)22-12-14-23(15-13-22)44(40,41)36-32-33-17-18-43-32/h3-19,39H,1-2H3,(H,33,36)/b35-29+
InChIKey
CSBOCDOFGZYBOH-OZMGXUMRSA-N
Compound name
4-[2-[2-[(E)-N-hydroxy-C-(4-methoxy-3-methylphenyl)carbonimidoyl]phenyl]-4-oxoquinazolin-3-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

623.1297 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.13698 244.1
[M+Na]+ 646.11892 252.4
[M-H]- 622.12242 257.0
[M+NH4]+ 641.16352 243.8
[M+K]+ 662.09286 244.2
[M+H-H2O]+ 606.12696 233.1
[M+HCOO]- 668.12790 254.8
[M+CH3COO]- 682.14355 249.6
[M+Na-2H]- 644.10437 247.7
[M]+ 623.12915 250.5
[M]- 623.13025 250.5
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.