PubChemLite - 1237261-65-2 (C23H24N2O3)

Structural Information

Molecular Formula

SMILES

CCN(CC)C(=O)[C@]1(C[C@H]1CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O3/c1-3-24(4-2)22(28)23(16-10-6-5-7-11-16)14-17(23)15-25-20(26)18-12-8-9-13-19(18)21(25)27/h5-13,17H,3-4,14-15H2,1-2H3/t17-,23+/m0/s1

InChIKey

JOTWZGIFEGRKFM-GAJHUEQPSA-N

Compound name

(1S,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide

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]+	377.18596	190.7
[M+Na]+	399.16790	199.3
[M-H]-	375.17140	201.6
[M+NH4]+	394.21250	201.5
[M+K]+	415.14184	194.4
[M+H-H2O]+	359.17594	182.9
[M+HCOO]-	421.17688	211.3
[M+CH3COO]-	435.19253	225.6
[M+Na-2H]-	397.15335	190.8
[M]+	376.17813	196.3
[M]-	376.17923	196.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

377.18596

190.7

[M+Na]+

399.16790

199.3

[M-H]-

375.17140

201.6

[M+NH4]+

394.21250

201.5

[M+K]+

415.14184

194.4

[M+H-H2O]+

359.17594

182.9

[M+HCOO]-

421.17688

211.3

[M+CH3COO]-

435.19253

225.6

[M+Na-2H]-

397.15335

190.8

[M]+

376.17813

196.3

[M]-

376.17923

196.3

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

1237261-65-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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