CID 63362

1772-87-8

Structural Information

Molecular Formula
C18H15Cl3N2O2
SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C18H15Cl3N2O2/c1-11-6-2-5-9-14(11)23-16(10-15(24)18(19,20)21)22-13-8-4-3-7-12(13)17(23)25/h2-9,15,24H,10H2,1H3
InChIKey
YKBYIOXJKOKJPI-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-2-(3,3,3-trichloro-2-hydroxypropyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

396.0199 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.027176 184.1
[M+Na]+ 419.009118 194.6
[M-H]- 395.012624 186.3
[M+NH4]+ 414.053723 194.8
[M+K]+ 434.983058 186.9
[M+H-H2O]+ 379.017160 176.6
[M+HCOO]- 441.018101 185.6
[M+CH3COO]- 455.033751 192.9
[M+Na-2H]- 416.994566 187.4
[M]+ 396.01935142 188.8
[M]- 396.02044858 188.8
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.