PubChemLite - Sc-77964 (C22H23F3N2O6S)

Structural Information

Molecular Formula

SMILES

C1CC1N2CCC(CC2)(C(=O)NO)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C22H23F3N2O6S/c23-22(24,25)33-18-5-3-16(4-6-18)32-17-7-9-19(10-8-17)34(30,31)21(20(28)26-29)11-13-27(14-12-21)15-1-2-15/h3-10,15,29H,1-2,11-14H2,(H,26,28)

InChIKey

NBRBWZJMBITNBC-UHFFFAOYSA-N

Compound name

1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-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]+	501.13018	201.3
[M+Na]+	523.11212	206.1
[M-H]-	499.11562	206.1
[M+NH4]+	518.15672	202.5
[M+K]+	539.08606	201.9
[M+H-H2O]+	483.12016	191.0
[M+HCOO]-	545.12110	208.3
[M+CH3COO]-	559.13675	233.4
[M+Na-2H]-	521.09757	204.1
[M]+	500.12235	201.1
[M]-	500.12345	201.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

501.13018

201.3

[M+Na]+

523.11212

206.1

[M-H]-

499.11562

206.1

[M+NH4]+

518.15672

202.5

[M+K]+

539.08606

201.9

[M+H-H2O]+

483.12016

191.0

[M+HCOO]-

545.12110

208.3

[M+CH3COO]-

559.13675

233.4

[M+Na-2H]-

521.09757

204.1

[M]+

500.12235

201.1

[M]-

500.12345

201.1

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

Sc-77964

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe