PubChemLite - 2-(((4-methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-3h-indolium chloride (C20H24N3O)

Structural Information

Molecular Formula

C₂₀H₂₄N₃O

SMILES

CC1(C2=CC=CC=C2[N+](=C1C=NNCC3=CC=C(C=C3)OC)C)C

InChI

InChI=1S/C20H23N3O/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15/h5-12,14H,13H2,1-4H3/p+1

InChIKey

RHSRDJUNWGTRNQ-UHFFFAOYSA-O

Compound name

1-(4-methoxyphenyl)-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine

Related CIDs

2D Structure

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]+	323.19921	178.8
[M+Na]+	345.18115	187.4
[M-H]-	321.18465	187.2
[M+NH4]+	340.22575	196.8
[M+K]+	361.15509	176.9
[M+H-H2O]+	305.18919	172.6
[M+HCOO]-	367.19013	204.0
[M+CH3COO]-	381.20578	210.2
[M+Na-2H]-	343.16660	186.2
[M]+	322.19138	181.7
[M]-	322.19248	181.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

323.19921

178.8

[M+Na]+

345.18115

187.4

[M-H]-

321.18465

187.2

[M+NH4]+

340.22575

196.8

[M+K]+

361.15509

176.9

[M+H-H2O]+

305.18919

172.6

[M+HCOO]-

367.19013

204.0

[M+CH3COO]-

381.20578

210.2

[M+Na-2H]-

343.16660

186.2

[M]+

322.19138

181.7

[M]-

322.19248

181.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-(((4-methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-3h-indolium chloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe