CID 326325

Nsc297365

Structural Information

Molecular Formula
C18H14ClFN2O
SMILES
C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=CC=C(C=C4)F)Cl
InChI
InChI=1S/C18H14ClFN2O/c19-16-8-13-10-22(9-12-3-5-14(20)6-4-12)11-23-18(13)17-15(16)2-1-7-21-17/h1-8H,9-11H2
InChIKey
XNSIAOWVAXWPEA-UHFFFAOYSA-N
Compound name
6-chloro-3-[(4-fluorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.07788 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.08516 174.9
[M+Na]+ 351.06710 185.0
[M-H]- 327.07060 179.3
[M+NH4]+ 346.11170 187.5
[M+K]+ 367.04104 178.3
[M+H-H2O]+ 311.07514 163.7
[M+HCOO]- 373.07608 185.1
[M+CH3COO]- 387.09173 185.0
[M+Na-2H]- 349.05255 180.9
[M]+ 328.07733 175.4
[M]- 328.07843 175.4
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.