CID 453933

2am-7,10dime-dboa-11one

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CC1=CC2=C(C=C1)N(C(=O)C3=C(O2)C=CC(=C3)N)C
InChI
InChI=1S/C15H14N2O2/c1-9-3-5-12-14(7-9)19-13-6-4-10(16)8-11(13)15(18)17(12)2/h3-8H,16H2,1-2H3
InChIKey
JTYHXCRYMXKNCE-UHFFFAOYSA-N
Compound name
8-amino-2,5-dimethylbenzo[b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

254.10553 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 155.8
[M+Na]+ 277.09475 165.4
[M-H]- 253.09825 162.4
[M+NH4]+ 272.13935 171.8
[M+K]+ 293.06869 166.5
[M+H-H2O]+ 237.10279 149.6
[M+HCOO]- 299.10373 174.9
[M+CH3COO]- 313.11938 168.2
[M+Na-2H]- 275.08020 162.3
[M]+ 254.10498 154.6
[M]- 254.10608 154.6
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.