CID 33471

1h,2h,3h,4h,5h-[1,4]diazepino[1,2-a]indole hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

C1CNCC2=CC3=CC=CC=C3N2C1

InChI

InChI=1S/C12H14N2/c1-2-5-12-10(4-1)8-11-9-13-6-3-7-14(11)12/h1-2,4-5,8,13H,3,6-7,9H2

InChIKey

FEJCIXJKPISCJV-UHFFFAOYSA-N

Compound name

2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 452
Patents: 186.11569 Da
Monoisotopic Mass: 1.5
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]+	187.12297	138.3
[M+Na]+	209.10491	145.9
[M-H]-	185.10841	141.1
[M+NH4]+	204.14951	157.5
[M+K]+	225.07885	144.0
[M+H-H2O]+	169.11295	131.7
[M+HCOO]-	231.11389	156.5
[M+CH3COO]-	245.12954	150.3
[M+Na-2H]-	207.09036	145.6
[M]+	186.11514	133.0
[M]-	186.11624	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe