CID 63863

75057-65-7

Structural Information

Molecular Formula
C19H14IN3O3S
SMILES
COC1=CC=CC=C1OCC2=NC3=C(C=CC(=C3)I)C(=O)N2C4=NC=CS4
InChI
InChI=1S/C19H14IN3O3S/c1-25-15-4-2-3-5-16(15)26-11-17-22-14-10-12(20)6-7-13(14)18(24)23(17)19-21-8-9-27-19/h2-10H,11H2,1H3
InChIKey
ZRFQDGVTNZDZEJ-UHFFFAOYSA-N
Compound name
7-iodo-2-[(2-methoxyphenoxy)methyl]-3-(1,3-thiazol-2-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.98007 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.98735 190.5
[M+Na]+ 513.96929 195.7
[M-H]- 489.97279 191.2
[M+NH4]+ 509.01389 197.1
[M+K]+ 529.94323 195.1
[M+H-H2O]+ 473.97733 177.2
[M+HCOO]- 535.97827 203.2
[M+CH3COO]- 549.99392 197.4
[M+Na-2H]- 511.95474 182.1
[M]+ 490.97952 195.5
[M]- 490.98062 195.5
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.