CID 373566

Nsc650019

Structural Information

Molecular Formula
C18H14ClN3O3
SMILES
COC1=CC=CC=C1C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl
InChI
InChI=1S/C18H14ClN3O3/c1-25-14-9-5-3-7-12(14)16-15(19)18(24)22(16)21-10-20-13-8-4-2-6-11(13)17(21)23/h2-10,15-16H,1H3
InChIKey
YCXFIXDXBTYKGW-UHFFFAOYSA-N
Compound name
3-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.07236 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.07964 175.5
[M+Na]+ 378.06158 186.5
[M-H]- 354.06508 182.0
[M+NH4]+ 373.10618 180.1
[M+K]+ 394.03552 183.0
[M+H-H2O]+ 338.06962 159.6
[M+HCOO]- 400.07056 188.5
[M+CH3COO]- 414.08621 185.9
[M+Na-2H]- 376.04703 179.3
[M]+ 355.07181 188.7
[M]- 355.07291 188.7
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.