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: 120
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	142.0
[M+Na]+	225.07468	147.2
[M-H]-	201.07818	147.5
[M+NH4]+	220.11928	159.1
[M+K]+	241.04862	144.5
[M+H-H2O]+	185.08272	139.0
[M+HCOO]-	247.08366	166.7
[M+CH3COO]-	261.09931	187.1
[M+Na-2H]-	223.06013	152.1
[M]+	202.08491	133.7
[M]-	202.08601	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe