CID 135924634

1103774-21-5

Structural Information

Molecular Formula

C₂₁H₂₃N₃O₃

SMILES

CCCCCN1C2=C(C=CC(=C2)OC)C(=C1O)N=NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3/c1-3-4-8-13-24-18-14-16(27-2)11-12-17(18)19(21(24)26)22-23-20(25)15-9-6-5-7-10-15/h5-7,9-12,14,26H,3-4,8,13H2,1-2H3

InChIKey

SNDQOZCXKLNSRI-UHFFFAOYSA-N

Compound name

N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 365.17395 Da
Monoisotopic Mass: 5.3
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]+	366.181226	187.8
[M+Na]+	388.163168	195.8
[M-H]-	364.166674	196.0
[M+NH4]+	383.207773	202.1
[M+K]+	404.137108	191.5
[M+H-H2O]+	348.171210	178.1
[M+HCOO]-	410.172151	213.9
[M+CH3COO]-	424.187801	224.0
[M+Na-2H]-	386.148616	191.1
[M]+	365.17340142	194.8
[M]-	365.17449858	194.8

Literature stripe

literature stripe

Patent stripe

patents stripe