CID 3078582

121771-84-4

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

C1CN2CCN=C2CC3=CC=CC=C31

InChI

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

InChIKey

DWIKKRTTWAYFDC-UHFFFAOYSA-N

Compound name

3,5,6,11-tetrahydro-2H-imidazo[1,2-c][3]benzazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 186.11569 Da
Monoisotopic Mass: 1.0
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]+	187.122966	138.6
[M+Na]+	209.104908	145.5
[M-H]-	185.108414	142.3
[M+NH4]+	204.149513	158.3
[M+K]+	225.078848	144.5
[M+H-H2O]+	169.112950	131.6
[M+HCOO]-	231.113891	156.8
[M+CH3COO]-	245.129541	150.7
[M+Na-2H]-	207.090356	145.3
[M]+	186.11514142	133.6
[M]-	186.11623858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe