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
2
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]+ 307.144116 177.7
[M+Na]+ 329.126058 188.9
[M-H]- 305.129564 186.2
[M+NH4]+ 324.170663 186.3
[M+K]+ 345.099998 182.3
[M+H-H2O]+ 289.134100 167.5
[M+HCOO]- 351.135041 198.4
[M+CH3COO]- 365.150691 188.5
[M+Na-2H]- 327.111506 182.7
[M]+ 306.13629142 182.2
[M]- 306.13738858 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

patents stripe