CID 43849

61905-84-8

Structural Information

Molecular Formula

C₂₀H₂₃N₃O₂

SMILES

CC1=C(NC2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)NNC(C)C

InChI

InChI=1S/C20H23N3O2/c1-13(2)22-23-20(24)19-14(3)17-11-16(9-10-18(17)21-19)25-12-15-7-5-4-6-8-15/h4-11,13,21-22H,12H2,1-3H3,(H,23,24)

InChIKey

RLJOFJVMMNUCPH-UHFFFAOYSA-N

Compound name

3-methyl-5-phenylmethoxy-N'-propan-2-yl-1H-indole-2-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 240
Patents: 337.17902 Da
Monoisotopic Mass: 4.1
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]+	338.186296	180.6
[M+Na]+	360.168238	186.8
[M-H]-	336.171744	186.0
[M+NH4]+	355.212843	194.4
[M+K]+	376.142178	181.7
[M+H-H2O]+	320.176280	171.9
[M+HCOO]-	382.177221	202.8
[M+CH3COO]-	396.192871	215.3
[M+Na-2H]-	358.153686	183.2
[M]+	337.17847142	182.1
[M]-	337.17956858	182.1

Literature stripe

literature stripe

Patent stripe

patents stripe