CID 384619

Nsc674632

Structural Information

Molecular Formula

C₁₂H₁₅N₃O

SMILES

CNC(=O)NCCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C12H15N3O/c1-13-12(16)14-7-6-9-8-15-11-5-3-2-4-10(9)11/h2-5,8,15H,6-7H2,1H3,(H2,13,14,16)

InChIKey

NQCSLFFSTSOWRP-UHFFFAOYSA-N

Compound name

1-[2-(1H-indol-3-yl)ethyl]-3-methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.1215 Da
Monoisotopic Mass: 1.6
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]+	218.128776	147.0
[M+Na]+	240.110718	154.4
[M-H]-	216.114224	149.2
[M+NH4]+	235.155323	166.0
[M+K]+	256.084658	150.3
[M+H-H2O]+	200.118760	140.0
[M+HCOO]-	262.119701	171.5
[M+CH3COO]-	276.135351	189.3
[M+Na-2H]-	238.096166	153.9
[M]+	217.12095142	146.6
[M]-	217.12204858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe