PubChemLite - Curazole (C23H33NOS)

Structural Information

Molecular Formula

SMILES

C[C@H]1CC1C2=CSC(=N2)/C=C\CC/C=C/C=C(\C)/CCC(CC=C)OC

InChI

InChI=1S/C23H33NOS/c1-5-11-20(25-4)15-14-18(2)12-9-7-6-8-10-13-23-24-22(17-26-23)21-16-19(21)3/h5,7,9-10,12-13,17,19-21H,1,6,8,11,14-16H2,2-4H3/b9-7+,13-10-,18-12+/t19-,20?,21?/m0/s1

InChIKey

WFIDQBARNHUGRV-DRDCOBJPSA-N

Compound name

2-[(1Z,5E,7E)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-4-[(2S)-2-methylcyclopropyl]-1,3-thiazole

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]+	372.23555	190.6
[M+Na]+	394.21749	196.5
[M-H]-	370.22099	195.3
[M+NH4]+	389.26209	199.7
[M+K]+	410.19143	188.5
[M+H-H2O]+	354.22553	182.5
[M+HCOO]-	416.22647	204.5
[M+CH3COO]-	430.24212	220.1
[M+Na-2H]-	392.20294	183.7
[M]+	371.22772	197.9
[M]-	371.22882	197.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

372.23555

190.6

[M+Na]+

394.21749

196.5

[M-H]-

370.22099

195.3

[M+NH4]+

389.26209

199.7

[M+K]+

410.19143

188.5

[M+H-H2O]+

354.22553

182.5

[M+HCOO]-

416.22647

204.5

[M+CH3COO]-

430.24212

220.1

[M+Na-2H]-

392.20294

183.7

[M]+

371.22772

197.9

[M]-

371.22882

197.9

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

Curazole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe