CID 326327

Nsc297367

Structural Information

Molecular Formula
C18H13Cl3N2O
SMILES
C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=C(C=C(C=C4)Cl)Cl)Cl
InChI
InChI=1S/C18H13Cl3N2O/c19-13-4-3-11(15(20)7-13)8-23-9-12-6-16(21)14-2-1-5-22-17(14)18(12)24-10-23/h1-7H,8-10H2
InChIKey
VKKZQTKLRNZOSS-UHFFFAOYSA-N
Compound name
6-chloro-3-[(2,4-dichlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.00934 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.01662 182.7
[M+Na]+ 400.99856 193.6
[M-H]- 377.00206 186.4
[M+NH4]+ 396.04316 194.2
[M+K]+ 416.97250 186.7
[M+H-H2O]+ 361.00660 173.3
[M+HCOO]- 423.00754 183.4
[M+CH3COO]- 437.02319 191.7
[M+Na-2H]- 398.98401 186.6
[M]+ 378.00879 186.3
[M]- 378.00989 186.3
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.