CID 135493887

Nsc673305

Structural Information

Molecular Formula
C34H27N5O5S
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=CC=CC=N6)OC
InChI
InChI=1S/C34H27N5O5S/c1-22-21-23(14-19-30(22)44-2)32(37-41)26-9-3-4-10-27(26)33-36-29-12-6-5-11-28(29)34(40)39(33)24-15-17-25(18-16-24)45(42,43)38-31-13-7-8-20-35-31/h3-21,41H,1-2H3,(H,35,38)/b37-32+
InChIKey
QTCISMYWVKLSLY-BQNXFWFHSA-N
Compound name
4-[2-[2-[(E)-N-hydroxy-C-(4-methoxy-3-methylphenyl)carbonimidoyl]phenyl]-4-oxoquinazolin-3-yl]-N-pyridin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

617.1733 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.18058 246.7
[M+Na]+ 640.16252 252.6
[M-H]- 616.16602 258.6
[M+NH4]+ 635.20712 243.5
[M+K]+ 656.13646 245.1
[M+H-H2O]+ 600.17056 231.6
[M+HCOO]- 662.17150 258.5
[M+CH3COO]- 676.18715 250.9
[M+Na-2H]- 638.14797 251.3
[M]+ 617.17275 249.8
[M]- 617.17385 249.8
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.