PubChemLite - Ghrelin agonist hm01 (C19H29Cl2N3O2)

Structural Information

Molecular Formula

SMILES

C[C@H](C1=C(C(=C(C=C1)OC)Cl)Cl)NC(=O)N(C)[C@H]2CCN(CC2(C)C)C

InChI

InChI=1S/C19H29Cl2N3O2/c1-12(13-7-8-14(26-6)17(21)16(13)20)22-18(25)24(5)15-9-10-23(4)11-19(15,2)3/h7-8,12,15H,9-11H2,1-6H3,(H,22,25)/t12-,15+/m1/s1

InChIKey

WGIAKIIMCPKJQN-DOMZBBRYSA-N

Compound name

3-[(1R)-1-(2,3-dichloro-4-methoxyphenyl)ethyl]-1-methyl-1-[(4S)-1,3,3-trimethylpiperidin-4-yl]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]+	402.17098	192.4
[M+Na]+	424.15292	198.7
[M-H]-	400.15642	198.1
[M+NH4]+	419.19752	206.2
[M+K]+	440.12686	194.7
[M+H-H2O]+	384.16096	186.1
[M+HCOO]-	446.16190	201.3
[M+CH3COO]-	460.17755	230.6
[M+Na-2H]-	422.13837	189.6
[M]+	401.16315	196.1
[M]-	401.16425	196.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

402.17098

192.4

[M+Na]+

424.15292

198.7

[M-H]-

400.15642

198.1

[M+NH4]+

419.19752

206.2

[M+K]+

440.12686

194.7

[M+H-H2O]+

384.16096

186.1

[M+HCOO]-

446.16190

201.3

[M+CH3COO]-

460.17755

230.6

[M+Na-2H]-

422.13837

189.6

[M]+

401.16315

196.1

[M]-

401.16425

196.1

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

Ghrelin agonist hm01

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe