Compound np-021297 (C24H22N4O4)

Structural Information

Molecular Formula

SMILES

CC(C)C1C(=O)N2C3N1C(=O)C(CC3(C4=CC=CC=C42)O)N5C=NC6=CC=CC=C6C5=O

InChI

InChI=1S/C24H22N4O4/c1-13(2)19-22(31)27-17-10-6-4-8-15(17)24(32)11-18(21(30)28(19)23(24)27)26-12-25-16-9-5-3-7-14(16)20(26)29/h3-10,12-13,18-19,23,32H,11H2,1-2H3

InChIKey

NBKVRNRJWWLJKF-UHFFFAOYSA-N

Compound name

1-hydroxy-13-(4-oxoquinazolin-3-yl)-10-propan-2-yl-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione

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]+	431.171376	203.8
[M+Na]+	453.153318	213.4
[M-H]-	429.156824	207.8
[M+NH4]+	448.197923	216.8
[M+K]+	469.127258	206.5
[M+H-H2O]+	413.161360	193.6
[M+HCOO]-	475.162301	212.1
[M+CH3COO]-	489.177951	211.4
[M+Na-2H]-	451.138766	201.8
[M]+	430.16355142	205.4
[M]-	430.16464858	205.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

431.171376

203.8

[M+Na]+

453.153318

213.4

[M-H]-

429.156824

207.8

[M+NH4]+

448.197923

216.8

[M+K]+

469.127258

206.5

[M+H-H2O]+

413.161360

193.6

[M+HCOO]-

475.162301

212.1

[M+CH3COO]-

489.177951

211.4

[M+Na-2H]-

451.138766

201.8

[M]+

430.16355142

205.4

[M]-

430.16464858

205.4

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

Compound np-021297

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe