PubChemLite - Nsc693118 (C24H29N5O3)

Structural Information

Molecular Formula

SMILES

CN(C)CCN1C(=O)C2=C3C(=C(C=C2)N(C)CCN(C)C)C(=O)C4=CC=CC=C4N3C1=O

InChI

InChI=1S/C24H29N5O3/c1-25(2)12-14-27(5)19-11-10-17-21-20(19)22(30)16-8-6-7-9-18(16)29(21)24(32)28(23(17)31)15-13-26(3)4/h6-11H,12-15H2,1-5H3

InChIKey

PLNMWNSPPNPJPB-UHFFFAOYSA-N

Compound name

15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethyl-methylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione

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]+	436.23433	208.5
[M+Na]+	458.21627	217.6
[M-H]-	434.21977	215.8
[M+NH4]+	453.26087	219.9
[M+K]+	474.19021	214.7
[M+H-H2O]+	418.22431	196.6
[M+HCOO]-	480.22525	230.5
[M+CH3COO]-	494.24090	252.6
[M+Na-2H]-	456.20172	213.8
[M]+	435.22650	219.7
[M]-	435.22760	219.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

436.23433

208.5

[M+Na]+

458.21627

217.6

[M-H]-

434.21977

215.8

[M+NH4]+

453.26087

219.9

[M+K]+

474.19021

214.7

[M+H-H2O]+

418.22431

196.6

[M+HCOO]-

480.22525

230.5

[M+CH3COO]-

494.24090

252.6

[M+Na-2H]-

456.20172

213.8

[M]+

435.22650

219.7

[M]-

435.22760

219.7

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

Nsc693118

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe