CID 160865

Prooxen

Structural Information

Molecular Formula

C₁₈H₁₉NO

SMILES

CN(C)CCC=C1C2=CC=CC=C2OC3=CC=CC=C31

InChI

InChI=1S/C18H19NO/c1-19(2)13-7-10-14-15-8-3-5-11-17(15)20-18-12-6-4-9-16(14)18/h3-6,8-12H,7,13H2,1-2H3

InChIKey

QJJPOTAYVSJWFR-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-xanthen-9-ylidenepropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 265.14667 Da
Monoisotopic Mass: 3.7
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]+	266.15395	161.8
[M+Na]+	288.13589	168.6
[M-H]-	264.13939	168.5
[M+NH4]+	283.18049	179.5
[M+K]+	304.10983	165.5
[M+H-H2O]+	248.14393	153.9
[M+HCOO]-	310.14487	182.5
[M+CH3COO]-	324.16052	173.8
[M+Na-2H]-	286.12134	169.3
[M]+	265.14612	163.3
[M]-	265.14722	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe