CID 167857

Carazedine

Structural Information

Molecular Formula

C₁₄H₂₀N₂

SMILES

CC1=CC2=C(C=C1)NC3C2CCN(CC3)C

InChI

InChI=1S/C14H20N2/c1-10-3-4-13-12(9-10)11-5-7-16(2)8-6-14(11)15-13/h3-4,9,11,14-15H,5-8H2,1-2H3

InChIKey

XEVOIJIPEYPLDG-UHFFFAOYSA-N

Compound name

3,9-dimethyl-2,4,5,5a,6,10b-hexahydro-1H-azepino[4,5-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 216.16264 Da
Monoisotopic Mass: 2.7
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]+	217.169916	149.8
[M+Na]+	239.151858	156.2
[M-H]-	215.155364	152.2
[M+NH4]+	234.196463	168.2
[M+K]+	255.125798	154.2
[M+H-H2O]+	199.159900	143.0
[M+HCOO]-	261.160841	164.5
[M+CH3COO]-	275.176491	160.5
[M+Na-2H]-	237.137306	152.7
[M]+	216.16209142	143.0
[M]-	216.16318858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe