CID 453924

2nh2ch2-10me-dboa-11one

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)CN
InChI
InChI=1S/C15H14N2O2/c1-17-12-4-2-3-5-14(12)19-13-7-6-10(9-16)8-11(13)15(17)18/h2-8H,9,16H2,1H3
InChIKey
HBFCKIASRQZNBZ-UHFFFAOYSA-N
Compound name
8-(aminomethyl)-5-methylbenzo[b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.10553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 155.3
[M+Na]+ 277.09475 164.1
[M-H]- 253.09825 161.5
[M+NH4]+ 272.13935 171.1
[M+K]+ 293.06869 165.1
[M+H-H2O]+ 237.10279 149.0
[M+HCOO]- 299.10373 174.5
[M+CH3COO]- 313.11938 167.5
[M+Na-2H]- 275.08020 162.5
[M]+ 254.10498 153.7
[M]- 254.10608 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.