PubChemLite - Asn008 (C25H35N2)

Structural Information

Molecular Formula

SMILES

CC1=CC=CC=C1N(CC[C@H]2CCCC[N+]2(C)C)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C25H35N2/c1-20-10-4-7-14-25(20)26(16-15-24-13-8-9-17-27(24,2)3)23-18-21-11-5-6-12-22(21)19-23/h4-7,10-12,14,23-24H,8-9,13,15-19H2,1-3H3/q+1/t24-/m1/s1

InChIKey

MSOHOVLMACCLHW-XMMPIXPASA-N

Compound name

N-[2-[(2R)-1,1-dimethylpiperidin-1-ium-2-yl]ethyl]-N-(2-methylphenyl)-2,3-dihydro-1H-inden-2-amine

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]+	364.28731	194.2
[M+Na]+	386.26925	197.0
[M-H]-	362.27275	203.2
[M+NH4]+	381.31385	209.7
[M+K]+	402.24319	185.6
[M+H-H2O]+	346.27729	186.1
[M+HCOO]-	408.27823	210.4
[M+CH3COO]-	422.29388	216.6
[M+Na-2H]-	384.25470	195.2
[M]+	363.27948	188.7
[M]-	363.28058	188.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

364.28731

194.2

[M+Na]+

386.26925

197.0

[M-H]-

362.27275

203.2

[M+NH4]+

381.31385

209.7

[M+K]+

402.24319

185.6

[M+H-H2O]+

346.27729

186.1

[M+HCOO]-

408.27823

210.4

[M+CH3COO]-

422.29388

216.6

[M+Na-2H]-

384.25470

195.2

[M]+

363.27948

188.7

[M]-

363.28058

188.7

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

Asn008

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe