PubChemLite - Nsc693119 (C23H27N5O4)

Structural Information

Molecular Formula

SMILES

CN(C)CCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=C(C2=O)C=C(C=C4)O)CCN(C)C

InChI

InChI=1S/C23H27N5O4/c1-25(2)10-9-24-17-7-6-15-20-19(17)21(30)16-13-14(29)5-8-18(16)28(20)23(32)27(22(15)31)12-11-26(3)4/h5-8,13,24,29H,9-12H2,1-4H3

InChIKey

LZUSOTZODKLCQV-UHFFFAOYSA-N

Compound name

15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(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]+	438.21358	207.2
[M+Na]+	460.19552	216.9
[M-H]-	436.19902	212.4
[M+NH4]+	455.24012	217.5
[M+K]+	476.16946	213.2
[M+H-H2O]+	420.20356	196.2
[M+HCOO]-	482.20450	227.7
[M+CH3COO]-	496.22015	248.3
[M+Na-2H]-	458.18097	212.9
[M]+	437.20575	217.1
[M]-	437.20685	217.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

438.21358

207.2

[M+Na]+

460.19552

216.9

[M-H]-

436.19902

212.4

[M+NH4]+

455.24012

217.5

[M+K]+

476.16946

213.2

[M+H-H2O]+

420.20356

196.2

[M+HCOO]-

482.20450

227.7

[M+CH3COO]-

496.22015

248.3

[M+Na-2H]-

458.18097

212.9

[M]+

437.20575

217.1

[M]-

437.20685

217.1

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

Nsc693119

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe