CID 3068342

Fce 20618

Structural Information

Molecular Formula

C₁₇H₁₈N₂O

SMILES

C1CN(CCN1)C2C3=CC=CC=C3C4=CC=CC=C4O2

InChI

InChI=1S/C17H18N2O/c1-2-7-15-13(5-1)14-6-3-4-8-16(14)20-17(15)19-11-9-18-10-12-19/h1-8,17-18H,9-12H2

InChIKey

GGJVQBAUKUVWHH-UHFFFAOYSA-N

Compound name

1-(6H-benzo[c]chromen-6-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 266.1419 Da
Monoisotopic Mass: 2.6
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]+	267.14918	160.8
[M+Na]+	289.13112	166.3
[M-H]-	265.13462	164.4
[M+NH4]+	284.17572	173.8
[M+K]+	305.10506	161.1
[M+H-H2O]+	249.13916	150.6
[M+HCOO]-	311.14010	172.9
[M+CH3COO]-	325.15575	170.1
[M+Na-2H]-	287.11657	167.8
[M]+	266.14135	154.3
[M]-	266.14245	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe