CID 36489

Ciproquazone

Structural Information

Molecular Formula
C19H18N2O2
SMILES
COC1=CC2=C(C=C1)N(C(=O)N=C2C3=CC=CC=C3)CC4CC4
InChI
InChI=1S/C19H18N2O2/c1-23-15-9-10-17-16(11-15)18(14-5-3-2-4-6-14)20-19(22)21(17)12-13-7-8-13/h2-6,9-11,13H,7-8,12H2,1H3
InChIKey
VAFNJIFAZJWWNI-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-6-methoxy-4-phenylquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

886
Patents

306.13684 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 177.7
[M+Na]+ 329.12606 188.9
[M-H]- 305.12956 186.2
[M+NH4]+ 324.17066 186.3
[M+K]+ 345.10000 182.3
[M+H-H2O]+ 289.13410 167.5
[M+HCOO]- 351.13504 198.4
[M+CH3COO]- 365.15069 188.5
[M+Na-2H]- 327.11151 182.7
[M]+ 306.13629 182.2
[M]- 306.13739 182.2
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.