CID 63283

Brn 0718988

Structural Information

Molecular Formula
C21H16IN3O3
SMILES
COC1=CC=CC=C1OCC2=NC3=C(C=CC(=C3)I)C(=O)N2C4=CC=CC=N4
InChI
InChI=1S/C21H16IN3O3/c1-27-17-6-2-3-7-18(17)28-13-20-24-16-12-14(22)9-10-15(16)21(26)25(20)19-8-4-5-11-23-19/h2-12H,13H2,1H3
InChIKey
KZDXISZRSWHTIW-UHFFFAOYSA-N
Compound name
7-iodo-2-[(2-methoxyphenoxy)methyl]-3-pyridin-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.02365 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.03093 193.0
[M+Na]+ 508.01287 195.6
[M-H]- 484.01637 192.0
[M+NH4]+ 503.05747 196.6
[M+K]+ 523.98681 195.1
[M+H-H2O]+ 468.02091 176.7
[M+HCOO]- 530.02185 206.7
[M+CH3COO]- 544.03750 198.4
[M+Na-2H]- 505.99832 187.6
[M]+ 485.02310 193.7
[M]- 485.02420 193.7
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.