CID 135481896

102147-11-5

Structural Information

Molecular Formula

C₁₃H₁₈N₂

SMILES

CCCN=C1CCCC2=CC=CC=C2N1

InChI

InChI=1S/C13H18N2/c1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)15-13/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,14,15)

InChIKey

ARUQXFSHRXMSSH-UHFFFAOYSA-N

Compound name

N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 202.147 Da
Monoisotopic Mass: 2.4
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]+	203.154276	143.9
[M+Na]+	225.136218	148.1
[M-H]-	201.139724	147.4
[M+NH4]+	220.180823	161.3
[M+K]+	241.110158	148.4
[M+H-H2O]+	185.144260	137.3
[M+HCOO]-	247.145201	163.5
[M+CH3COO]-	261.160851	155.0
[M+Na-2H]-	223.121666	150.5
[M]+	202.14645142	137.7
[M]-	202.14754858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe