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: 3
Patents: 254.10553 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe