PubChemLite - 510761-74-7 (C24H26N6O4)

Structural Information

Molecular Formula

SMILES

C1COCCN1CCCN2C3=C(C=C(C2=N)C(=O)NCC4=CC=CO4)C(=O)N5C=CC=CC5=N3

InChI

InChI=1S/C24H26N6O4/c25-21-18(23(31)26-16-17-5-3-12-34-17)15-19-22(27-20-6-1-2-8-29(20)24(19)32)30(21)9-4-7-28-10-13-33-14-11-28/h1-3,5-6,8,12,15,25H,4,7,9-11,13-14,16H2,(H,26,31)

InChIKey

HLTRPZVTNMJRRZ-UHFFFAOYSA-N

Compound name

N-(furan-2-ylmethyl)-6-imino-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

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]+	463.20882	210.5
[M+Na]+	485.19076	217.1
[M-H]-	461.19426	218.0
[M+NH4]+	480.23536	213.0
[M+K]+	501.16470	212.2
[M+H-H2O]+	445.19880	197.6
[M+HCOO]-	507.19974	224.5
[M+CH3COO]-	521.21539	217.3
[M+Na-2H]-	483.17621	213.7
[M]+	462.20099	212.2
[M]-	462.20209	212.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.20882

210.5

[M+Na]+

485.19076

217.1

[M-H]-

461.19426

218.0

[M+NH4]+

480.23536

213.0

[M+K]+

501.16470

212.2

[M+H-H2O]+

445.19880

197.6

[M+HCOO]-

507.19974

224.5

[M+CH3COO]-

521.21539

217.3

[M+Na-2H]-

483.17621

213.7

[M]+

462.20099

212.2

[M]-

462.20209

212.2

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

510761-74-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe