PubChemLite - 5-chloro-2-hydroxy-n-(isopropyl[?]yl)benzamide (C19H25ClN2O2)

Structural Information

Molecular Formula

SMILES

CC(C)N1C2CCC23C1C[C@@H](CC3)NC(=O)C4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C19H25ClN2O2/c1-11(2)22-16-6-8-19(16)7-5-13(10-17(19)22)21-18(24)14-9-12(20)3-4-15(14)23/h3-4,9,11,13,16-17,23H,5-8,10H2,1-2H3,(H,21,24)/t13-,16?,17?,19?/m1/s1

InChIKey

DKHAMKLSIWPHNK-HKYFHIHASA-N

Compound name

5-chloro-2-hydroxy-N-[(8R)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide

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]+	349.16774	178.8
[M+Na]+	371.14968	182.0
[M-H]-	347.15318	183.2
[M+NH4]+	366.19428	181.2
[M+K]+	387.12362	183.0
[M+H-H2O]+	331.15772	162.6
[M+HCOO]-	393.15866	185.5
[M+CH3COO]-	407.17431	223.3
[M+Na-2H]-	369.13513	178.1
[M]+	348.15991	193.8
[M]-	348.16101	193.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

349.16774

178.8

[M+Na]+

371.14968

182.0

[M-H]-

347.15318

183.2

[M+NH4]+

366.19428

181.2

[M+K]+

387.12362

183.0

[M+H-H2O]+

331.15772

162.6

[M+HCOO]-

393.15866

185.5

[M+CH3COO]-

407.17431

223.3

[M+Na-2H]-

369.13513

178.1

[M]+

348.15991

193.8

[M]-

348.16101

193.8

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

5-chloro-2-hydroxy-n-(isopropyl[?]yl)benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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