Rhazimol (C21H24N2O3)

Structural Information

Molecular Formula

SMILES

C/C=C\1/CN2CC[C@@]34C5=CC=CC=C5N=C3[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC

InChI

InChI=1S/C21H24N2O3/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-18(20)17(23)10-15(13)21(20,12-24)19(25)26-2/h3-7,15,17,24H,8-12H2,1-2H3/b13-3-/t15-,17-,20+,21-/m0/s1

InChIKey

XLHUHYFKFFGUFE-OQTQPSEISA-N

Compound name

methyl (1S,10S,12S,13E,18R)-13-ethylidene-18-(hydroxymethyl)-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate

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]+	353.185956	185.2
[M+Na]+	375.167898	191.7
[M-H]-	351.171404	185.2
[M+NH4]+	370.212503	204.7
[M+K]+	391.141838	185.5
[M+H-H2O]+	335.175940	175.6
[M+HCOO]-	397.176881	192.5
[M+CH3COO]-	411.192531	193.1
[M+Na-2H]-	373.153346	188.4
[M]+	352.17813142	184.4
[M]-	352.17922858	184.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

353.185956

185.2

[M+Na]+

375.167898

191.7

[M-H]-

351.171404

185.2

[M+NH4]+

370.212503

204.7

[M+K]+

391.141838

185.5

[M+H-H2O]+

335.175940

175.6

[M+HCOO]-

397.176881

192.5

[M+CH3COO]-

411.192531

193.1

[M+Na-2H]-

373.153346

188.4

[M]+

352.17813142

184.4

[M]-

352.17922858

184.4

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

Rhazimol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe