CID 155978079

6-chloro-2h,3h,4h,5h-pyrido[3,2-f][1,4]oxazepine dihydrochloride

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
C1COC2=NC=CC(=C2CN1)Cl
InChI
InChI=1S/C8H9ClN2O/c9-7-1-2-11-8-6(7)5-10-3-4-12-8/h1-2,10H,3-5H2
InChIKey
VBKDVZRMELETNA-UHFFFAOYSA-N
Compound name
6-chloro-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.04034 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04762 134.5
[M+Na]+ 207.02956 146.6
[M+NH4]+ 202.07416 142.7
[M+K]+ 223.00350 141.6
[M-H]- 183.03306 136.9
[M+Na-2H]- 205.01501 140.4
[M]+ 184.03979 137.2
[M]- 184.04089 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.