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 131.4
[M+Na]+ 207.02956 139.3
[M-H]- 183.03306 133.2
[M+NH4]+ 202.07416 147.6
[M+K]+ 223.00350 140.1
[M+H-H2O]+ 167.03760 124.4
[M+HCOO]- 229.03854 143.8
[M+CH3COO]- 243.05419 143.4
[M+Na-2H]- 205.01501 140.2
[M]+ 184.03979 127.3
[M]- 184.04089 127.3
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.