CID 6438340

Igmesine

Structural Information

Molecular Formula

C₂₃H₂₉N

SMILES

CCC(C/C=C/C1=CC=CC=C1)(C2=CC=CC=C2)N(C)CC3CC3

InChI

InChI=1S/C23H29N/c1-3-23(22-14-8-5-9-15-22,24(2)19-21-16-17-21)18-10-13-20-11-6-4-7-12-20/h4-15,21H,3,16-19H2,1-2H3/b13-10+

InChIKey

VCZSWYIFCKGTJI-JLHYYAGUSA-N

Compound name

(E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 57
References: 539
Patents: 319.23 Da
Monoisotopic Mass: 5.9
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]+	320.23728	175.2
[M+Na]+	342.21922	179.9
[M-H]-	318.22272	185.2
[M+NH4]+	337.26382	184.8
[M+K]+	358.19316	175.1
[M+H-H2O]+	302.22726	166.2
[M+HCOO]-	364.22820	197.6
[M+CH3COO]-	378.24385	216.5
[M+Na-2H]-	340.20467	179.6
[M]+	319.22945	177.6
[M]-	319.23055	177.6

Literature stripe

literature stripe

Patent stripe

patents stripe