CID 326313

50595-07-8

Structural Information

Molecular Formula
C18H14Cl2N2O
SMILES
C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=CC=CC=C4Cl)Cl
InChI
InChI=1S/C18H14Cl2N2O/c19-15-6-2-1-4-12(15)9-22-10-13-8-16(20)14-5-3-7-21-17(14)18(13)23-11-22/h1-8H,9-11H2
InChIKey
YQUDGSHPAMOICU-UHFFFAOYSA-N
Compound name
6-chloro-3-[(2-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0483 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05558 177.2
[M+Na]+ 367.03752 187.5
[M-H]- 343.04102 182.0
[M+NH4]+ 362.08212 189.7
[M+K]+ 383.01146 180.6
[M+H-H2O]+ 327.04556 167.3
[M+HCOO]- 389.04650 183.3
[M+CH3COO]- 403.06215 187.1
[M+Na-2H]- 365.02297 182.9
[M]+ 344.04775 180.0
[M]- 344.04885 180.0
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.