CID 135493891

Nsc673309

Structural Information

Molecular Formula
C33H26N6O5S
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=CC=N6)OC
InChI
InChI=1S/C33H26N6O5S/c1-21-20-22(12-17-29(21)44-2)30(37-41)25-8-3-4-9-26(25)31-36-28-11-6-5-10-27(28)32(40)39(31)23-13-15-24(16-14-23)45(42,43)38-33-34-18-7-19-35-33/h3-20,41H,1-2H3,(H,34,35,38)/b37-30+
InChIKey
XGWFSFRCXHAZOB-GGFUHWEBSA-N
Compound name
4-[2-[2-[(E)-N-hydroxy-C-(4-methoxy-3-methylphenyl)carbonimidoyl]phenyl]-4-oxoquinazolin-3-yl]-N-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

618.1685 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.17578 245.8
[M+Na]+ 641.15772 252.1
[M-H]- 617.16122 256.7
[M+NH4]+ 636.20232 241.2
[M+K]+ 657.13166 244.1
[M+H-H2O]+ 601.16576 230.6
[M+HCOO]- 663.16670 256.6
[M+CH3COO]- 677.18235 249.7
[M+Na-2H]- 639.14317 251.1
[M]+ 618.16795 248.9
[M]- 618.16905 248.9
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.