CID 431429

Pirandamine

Structural Information

Molecular Formula

C₁₇H₂₃NO

SMILES

CC1(C2=C(CCO1)C3=CC=CC=C3C2)CCN(C)C

InChI

InChI=1S/C17H23NO/c1-17(9-10-18(2)3)16-12-13-6-4-5-7-14(13)15(16)8-11-19-17/h4-7H,8-12H2,1-3H3

InChIKey

AMJPIGOYWBNJLP-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 706
Patents: 257.17798 Da
Monoisotopic Mass: 2.1
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]+	258.185256	161.5
[M+Na]+	280.167198	168.4
[M-H]-	256.170704	168.4
[M+NH4]+	275.211803	183.5
[M+K]+	296.141138	166.3
[M+H-H2O]+	240.175240	155.1
[M+HCOO]-	302.176181	181.7
[M+CH3COO]-	316.191831	174.0
[M+Na-2H]-	278.152646	166.9
[M]+	257.17743142	163.1
[M]-	257.17852858	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe