CID 206875

28837-77-6

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₃

SMILES

COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C14H16N2O3/c1-18-11-2-3-12-10(8-11)9-13(15-12)14(17)16-4-6-19-7-5-16/h2-3,8-9,15H,4-7H2,1H3

InChIKey

FJVPYSYUBMNKLI-UHFFFAOYSA-N

Compound name

(5-methoxy-1H-indol-2-yl)-morpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 260.1161 Da
Monoisotopic Mass: 1.4
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]+	261.123376	157.6
[M+Na]+	283.105318	164.8
[M-H]-	259.108824	161.7
[M+NH4]+	278.149923	172.1
[M+K]+	299.079258	162.1
[M+H-H2O]+	243.113360	149.3
[M+HCOO]-	305.114301	174.4
[M+CH3COO]-	319.129951	168.8
[M+Na-2H]-	281.090766	161.5
[M]+	260.11555142	156.8
[M]-	260.11664858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe