PubChemLite - Gnf-pf-344 (C24H21N5O7S2)

Structural Information

Molecular Formula

SMILES

C1=COC(=C1)CNS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NNC(=O)N)C=C(C=C4)S(=O)(=O)NCC5=CC=CO5

InChI

InChI=1S/C24H21N5O7S2/c25-24(30)29-28-23-21-11-17(37(31,32)26-13-15-3-1-9-35-15)5-7-19(21)20-8-6-18(12-22(20)23)38(33,34)27-14-16-4-2-10-36-16/h1-12,26-27H,13-14H2,(H3,25,29,30)

InChIKey

BZPRANADNUMFLG-UHFFFAOYSA-N

Compound name

[[2,7-bis(furan-2-ylmethylsulfamoyl)fluoren-9-ylidene]amino]urea

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]+	556.09554	223.9
[M+Na]+	578.07748	230.3
[M-H]-	554.08098	238.2
[M+NH4]+	573.12208	232.4
[M+K]+	594.05142	229.5
[M+H-H2O]+	538.08552	220.2
[M+HCOO]-	600.08646	241.6
[M+CH3COO]-	614.10211	254.3
[M+Na-2H]-	576.06293	232.8
[M]+	555.08771	233.2
[M]-	555.08881	233.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

556.09554

223.9

[M+Na]+

578.07748

230.3

[M-H]-

554.08098

238.2

[M+NH4]+

573.12208

232.4

[M+K]+

594.05142

229.5

[M+H-H2O]+

538.08552

220.2

[M+HCOO]-

600.08646

241.6

[M+CH3COO]-

614.10211

254.3

[M+Na-2H]-

576.06293

232.8

[M]+

555.08771

233.2

[M]-

555.08881

233.2

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

Gnf-pf-344

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe