CID 57697628

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

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1COC2=C(CN1)C=CC=N2
InChI
InChI=1S/C8H10N2O/c1-2-7-6-9-4-5-11-8(7)10-3-1/h1-3,9H,4-6H2
InChIKey
WLBFWQVBUBLMSS-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

150.07932 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 125.6
[M+Na]+ 173.068538 131.2
[M-H]- 149.072044 127.4
[M+NH4]+ 168.113143 141.8
[M+K]+ 189.042478 133.4
[M+H-H2O]+ 133.076580 118.6
[M+HCOO]- 195.077521 142.3
[M+CH3COO]- 209.093171 137.5
[M+Na-2H]- 171.053986 135.5
[M]+ 150.07877142 119.4
[M]- 150.07986858 119.4
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

patents stripe