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]+ 185.047616 131.4
[M+Na]+ 207.029558 139.3
[M-H]- 183.033064 133.2
[M+NH4]+ 202.074163 147.6
[M+K]+ 223.003498 140.1
[M+H-H2O]+ 167.037600 124.4
[M+HCOO]- 229.038541 143.8
[M+CH3COO]- 243.054191 143.4
[M+Na-2H]- 205.015006 140.2
[M]+ 184.03979142 127.3
[M]- 184.04088858 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.