PubChemLite - 102504-75-6 (C26H32FN5O3)

Structural Information

Molecular Formula

SMILES

CNC(=O)O/N=C(/CCCN1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)C)\C4=CC=C(C=C4)F

InChI

InChI=1S/C26H32FN5O3/c1-28-25(34)35-29-23(20-10-12-21(27)13-11-20)9-6-16-31-17-14-26(15-18-31)24(33)30(2)19-32(26)22-7-4-3-5-8-22/h3-5,7-8,10-13H,6,9,14-19H2,1-2H3,(H,28,34)/b29-23-

InChIKey

VTQBOWNKYJAPGH-FAJYDZGRSA-N

Compound name

[(Z)-[1-(4-fluorophenyl)-4-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butylidene]amino] N-methylcarbamate

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]+	482.25621	216.4
[M+Na]+	504.23815	218.9
[M-H]-	480.24165	222.8
[M+NH4]+	499.28275	222.9
[M+K]+	520.21209	213.6
[M+H-H2O]+	464.24619	202.7
[M+HCOO]-	526.24713	230.4
[M+CH3COO]-	540.26278	242.5
[M+Na-2H]-	502.22360	213.4
[M]+	481.24838	212.3
[M]-	481.24948	212.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

482.25621

216.4

[M+Na]+

504.23815

218.9

[M-H]-

480.24165

222.8

[M+NH4]+

499.28275

222.9

[M+K]+

520.21209

213.6

[M+H-H2O]+

464.24619

202.7

[M+HCOO]-

526.24713

230.4

[M+CH3COO]-

540.26278

242.5

[M+Na-2H]-

502.22360

213.4

[M]+

481.24838

212.3

[M]-

481.24948

212.3

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

102504-75-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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