CID 373575

Nsc650028

Structural Information

Molecular Formula
C20H18ClN3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl
InChI
InChI=1S/C20H18ClN3O5/c1-27-14-8-11(9-15(28-2)18(14)29-3)17-16(21)20(26)24(17)23-10-22-13-7-5-4-6-12(13)19(23)25/h4-10,16-17H,1-3H3
InChIKey
KFYHYCDSWCLYFV-UHFFFAOYSA-N
Compound name
3-[3-chloro-2-oxo-4-(3,4,5-trimethoxyphenyl)azetidin-1-yl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.0935 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.10078 190.6
[M+Na]+ 438.08272 201.3
[M-H]- 414.08622 197.4
[M+NH4]+ 433.12732 192.9
[M+K]+ 454.05666 199.4
[M+H-H2O]+ 398.09076 174.3
[M+HCOO]- 460.09170 203.0
[M+CH3COO]- 474.10735 228.4
[M+Na-2H]- 436.06817 192.0
[M]+ 415.09295 207.7
[M]- 415.09405 207.7
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.