PubChemLite - Miv-170 (C24H21F2N3O4S)

Structural Information

Molecular Formula

SMILES

C1CC2=C(C=CC(=C2[C@H]3[C@@H]1[C@H]3NC(=O)NC4=CC=C(C=C4)OC5=CC=C(C=C5)S(=O)(=O)N)F)F

InChI

InChI=1S/C24H21F2N3O4S/c25-19-11-12-20(26)21-17(19)9-10-18-22(21)23(18)29-24(30)28-13-1-3-14(4-2-13)33-15-5-7-16(8-6-15)34(27,31)32/h1-8,11-12,18,22-23H,9-10H2,(H2,27,31,32)(H2,28,29,30)/t18-,22-,23-/m1/s1

InChIKey

FRIDRXJGZVLPIQ-SXSPYAJSSA-N

Compound name

1-[(1R,1aR,7bR)-4,7-difluoro-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-3-[4-(4-sulfamoylphenoxy)phenyl]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]+	486.12935	195.5
[M+Na]+	508.11129	203.3
[M-H]-	484.11479	203.0
[M+NH4]+	503.15589	199.6
[M+K]+	524.08523	196.3
[M+H-H2O]+	468.11933	186.0
[M+HCOO]-	530.12027	208.7
[M+CH3COO]-	544.13592	244.3
[M+Na-2H]-	506.09674	199.7
[M]+	485.12152	197.6
[M]-	485.12262	197.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.12935

195.5

[M+Na]+

508.11129

203.3

[M-H]-

484.11479

203.0

[M+NH4]+

503.15589

199.6

[M+K]+

524.08523

196.3

[M+H-H2O]+

468.11933

186.0

[M+HCOO]-

530.12027

208.7

[M+CH3COO]-

544.13592

244.3

[M+Na-2H]-

506.09674

199.7

[M]+

485.12152

197.6

[M]-

485.12262

197.6

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

Miv-170

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe