CID 60163203

Quinazoline derivative 11

Structural Information

Molecular Formula
C20H14BrN3O3S
SMILES
COC1=CC(=C(C=C1)Br)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CS4
InChI
InChI=1S/C20H14BrN3O3S/c1-27-12-8-9-15(21)14(11-12)19(25)23-24-18(17-7-4-10-28-17)22-16-6-3-2-5-13(16)20(24)26/h2-11H,1H3,(H,23,25)
InChIKey
SIPGYZVTRHQPRD-UHFFFAOYSA-N
Compound name
2-bromo-5-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.99393 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.00121 188.2
[M+Na]+ 477.98315 201.8
[M-H]- 453.98665 200.1
[M+NH4]+ 473.02775 201.7
[M+K]+ 493.95709 188.8
[M+H-H2O]+ 437.99119 186.2
[M+HCOO]- 499.99213 205.2
[M+CH3COO]- 514.00778 201.1
[M+Na-2H]- 475.96860 192.3
[M]+ 454.99338 212.7
[M]- 454.99448 212.7
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.