PubChemLite - Nsc687308 (C24H29N5O3)

Structural Information

Molecular Formula

SMILES

CN(C)CCCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=CC=CC=C4C2=O)CCN(C)C

InChI

InChI=1S/C24H29N5O3/c1-26(2)13-7-12-25-18-11-10-17-21-20(18)22(30)16-8-5-6-9-19(16)29(21)24(32)28(23(17)31)15-14-27(3)4/h5-6,8-11,25H,7,12-15H2,1-4H3

InChIKey

FUFIQEAPORJTAW-UHFFFAOYSA-N

Compound name

15-[2-(dimethylamino)ethyl]-10-[3-(dimethylamino)propylamino]-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	208.3
[M+Na]+	458.21627	217.4
[M-H]-	434.21977	214.3
[M+NH4]+	453.26087	219.2
[M+K]+	474.19021	213.2
[M+H-H2O]+	418.22431	196.6
[M+HCOO]-	480.22525	229.9
[M+CH3COO]-	494.24090	249.5
[M+Na-2H]-	456.20172	214.4
[M]+	435.22650	218.5
[M]-	435.22760	218.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

436.23433

208.3

[M+Na]+

458.21627

217.4

[M-H]-

434.21977

214.3

[M+NH4]+

453.26087

219.2

[M+K]+

474.19021

213.2

[M+H-H2O]+

418.22431

196.6

[M+HCOO]-

480.22525

229.9

[M+CH3COO]-

494.24090

249.5

[M+Na-2H]-

456.20172

214.4

[M]+

435.22650

218.5

[M]-

435.22760

218.5

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

Nsc687308

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe