CID 3069717

Morpholine, 4-((8-iodo-4-oxo-2-(phenoxymethyl)-3(4h)-quinazolinyl)acetyl)-

Structural Information

Molecular Formula
C21H20IN3O4
SMILES
C1COCCN1C(=O)CN2C(=NC3=C(C2=O)C=CC=C3I)COC4=CC=CC=C4
InChI
InChI=1S/C21H20IN3O4/c22-17-8-4-7-16-20(17)23-18(14-29-15-5-2-1-3-6-15)25(21(16)27)13-19(26)24-9-11-28-12-10-24/h1-8H,9-14H2
InChIKey
ATSQUSHMPSPTMR-UHFFFAOYSA-N
Compound name
8-iodo-3-(2-morpholin-4-yl-2-oxoethyl)-2-(phenoxymethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.04984 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.05712 197.0
[M+Na]+ 528.03906 196.0
[M-H]- 504.04256 195.4
[M+NH4]+ 523.08366 198.0
[M+K]+ 544.01300 197.6
[M+H-H2O]+ 488.04710 180.6
[M+HCOO]- 550.04804 205.4
[M+CH3COO]- 564.06369 200.5
[M+Na-2H]- 526.02451 188.9
[M]+ 505.04929 194.1
[M]- 505.05039 194.1
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.