CID 393498

Nsc695562

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₂

SMILES

CC(CN(C)C)OC(=O)C1=CC2=CC=CC=C2N1

InChI

InChI=1S/C14H18N2O2/c1-10(9-16(2)3)18-14(17)13-8-11-6-4-5-7-12(11)15-13/h4-8,10,15H,9H2,1-3H3

InChIKey

BHWQOCDULQULII-UHFFFAOYSA-N

Compound name

1-(dimethylamino)propan-2-yl 1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 246.13683 Da
Monoisotopic Mass: 2.9
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]+	247.14411	157.2
[M+Na]+	269.12605	164.2
[M-H]-	245.12955	160.7
[M+NH4]+	264.17065	175.8
[M+K]+	285.09999	162.1
[M+H-H2O]+	229.13409	150.1
[M+HCOO]-	291.13503	179.6
[M+CH3COO]-	305.15068	197.2
[M+Na-2H]-	267.11150	160.5
[M]+	246.13628	160.3
[M]-	246.13738	160.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.