PubChemLite - Tnp-470 (C19H28ClNO6)

Structural Information

Molecular Formula

SMILES

CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)NC(=O)CCl)OC)C

InChI

InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18+,19+/m1/s1

InChIKey

MSHZHSPISPJWHW-PVDLLORBSA-N

Compound name

[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate

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]+	402.16780	190.4
[M+Na]+	424.14974	195.3
[M-H]-	400.15324	199.3
[M+NH4]+	419.19434	193.5
[M+K]+	440.12368	196.9
[M+H-H2O]+	384.15778	187.5
[M+HCOO]-	446.15872	197.7
[M+CH3COO]-	460.17437	227.5
[M+Na-2H]-	422.13519	189.9
[M]+	401.15997	200.5
[M]-	401.16107	200.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

402.16780

190.4

[M+Na]+

424.14974

195.3

[M-H]-

400.15324

199.3

[M+NH4]+

419.19434

193.5

[M+K]+

440.12368

196.9

[M+H-H2O]+

384.15778

187.5

[M+HCOO]-

446.15872

197.7

[M+CH3COO]-

460.17437

227.5

[M+Na-2H]-

422.13519

189.9

[M]+

401.15997

200.5

[M]-

401.16107

200.5

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

Tnp-470

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe