PubChemLite - Nsc-660839 (C22H26N4O3)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C=CC(=C4C2=O)OC)OC

InChI

InChI=1S/C22H26N4O3/c1-5-25(6-2)12-11-23-14-7-8-15-20-18(14)22(27)19-16(28-3)9-10-17(29-4)21(19)26(20)13-24-15/h7-10,13,23H,5-6,11-12H2,1-4H3

InChIKey

GVUCPNKYHGBWCF-UHFFFAOYSA-N

Compound name

10-[2-(diethylamino)ethylamino]-3,6-dimethoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one

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]+	395.20778	196.4
[M+Na]+	417.18972	206.0
[M-H]-	393.19322	201.6
[M+NH4]+	412.23432	210.8
[M+K]+	433.16366	201.7
[M+H-H2O]+	377.19776	186.6
[M+HCOO]-	439.19870	218.2
[M+CH3COO]-	453.21435	234.9
[M+Na-2H]-	415.17517	201.6
[M]+	394.19995	207.5
[M]-	394.20105	207.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

395.20778

196.4

[M+Na]+

417.18972

206.0

[M-H]-

393.19322

201.6

[M+NH4]+

412.23432

210.8

[M+K]+

433.16366

201.7

[M+H-H2O]+

377.19776

186.6

[M+HCOO]-

439.19870

218.2

[M+CH3COO]-

453.21435

234.9

[M+Na-2H]-

415.17517

201.6

[M]+

394.19995

207.5

[M]-

394.20105

207.5

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

Nsc-660839

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe