CID 3061909

1,13b-dihydrodibenz(b,f)imidazo(1,5-d)(1,4)oxazepin-3-amine hydrochloride

Structural Information

Molecular Formula
C15H13N3O
SMILES
C1C2C3=CC=CC=C3OC4=CC=CC=C4N2C(=N1)N
InChI
InChI=1S/C15H13N3O/c16-15-17-9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)18(12)15/h1-8,12H,9H2,(H2,16,17)
InChIKey
NCGQJQMYJAZDHL-UHFFFAOYSA-N
Compound name
13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

251.10587 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.113146 154.2
[M+Na]+ 274.095088 163.7
[M-H]- 250.098594 160.2
[M+NH4]+ 269.139693 171.3
[M+K]+ 290.069028 162.5
[M+H-H2O]+ 234.103130 147.2
[M+HCOO]- 296.104071 172.5
[M+CH3COO]- 310.119721 166.3
[M+Na-2H]- 272.080536 161.9
[M]+ 251.10532142 151.8
[M]- 251.10641858 151.8
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