CID 10932520

86499-24-3

Structural Information

Molecular Formula

C₁₀H₁₀N₄O

SMILES

C1CC2=CC=CC=C2NC(=O)C1N=[N+]=[N-]

InChI

InChI=1S/C10H10N4O/c11-14-13-9-6-5-7-3-1-2-4-8(7)12-10(9)15/h1-4,9H,5-6H2,(H,12,15)

InChIKey

PDFYKDYEFKYENU-UHFFFAOYSA-N

Compound name

3-azido-1,3,4,5-tetrahydro-1-benzazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 202.08546 Da
Monoisotopic Mass: 2.6
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]+	203.09274	144.9
[M+Na]+	225.07468	155.5
[M+NH4]+	220.11928	152.6
[M+K]+	241.04862	151.7
[M-H]-	201.07818	149.2
[M+Na-2H]-	223.06013	151.0
[M]+	202.08491	147.4
[M]-	202.08601	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe