CID 205596

Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-isopropyl-, maleate (1:1)

Structural Information

Molecular Formula

C₁₈H₂₁N

SMILES

CC(C)N1CC2=CC=CC=C2CC3=CC=CC=C3C1

InChI

InChI=1S/C18H21N/c1-14(2)19-12-17-9-5-3-7-15(17)11-16-8-4-6-10-18(16)13-19/h3-10,14H,11-13H2,1-2H3

InChIKey

HVEYCSQGCPNDDM-UHFFFAOYSA-N

Compound name

11-propan-2-yl-10,12-dihydro-5H-benzo[d][2]benzazocine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 251.1674 Da
Monoisotopic Mass: 4.1
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]+	252.174676	162.0
[M+Na]+	274.156618	166.7
[M-H]-	250.160124	163.7
[M+NH4]+	269.201223	170.0
[M+K]+	290.130558	165.3
[M+H-H2O]+	234.164660	157.3
[M+HCOO]-	296.165601	169.4
[M+CH3COO]-	310.181251	166.1
[M+Na-2H]-	272.142066	162.2
[M]+	251.16685142	161.0
[M]-	251.16794858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe