PubChemLite - 81820-08-8 (C25H29N5O4)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=C1)N(C(=C2N=NC(=O)COC3=CC=C(C=C3)NC(=O)C)O)CN4CCCCC4

InChI

InChI=1S/C25H29N5O4/c1-17-6-11-22-21(14-17)24(25(33)30(22)16-29-12-4-3-5-13-29)28-27-23(32)15-34-20-9-7-19(8-10-20)26-18(2)31/h6-11,14,33H,3-5,12-13,15-16H2,1-2H3,(H,26,31)

InChIKey

JLPZMGCQRCUXIV-UHFFFAOYSA-N

Compound name

2-(4-acetamidophenoxy)-N-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide

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]+	464.22923	209.8
[M+Na]+	486.21117	213.6
[M-H]-	462.21467	218.9
[M+NH4]+	481.25577	217.3
[M+K]+	502.18511	209.7
[M+H-H2O]+	446.21921	198.0
[M+HCOO]-	508.22015	230.4
[M+CH3COO]-	522.23580	244.1
[M+Na-2H]-	484.19662	210.2
[M]+	463.22140	211.5
[M]-	463.22250	211.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.22923

209.8

[M+Na]+

486.21117

213.6

[M-H]-

462.21467

218.9

[M+NH4]+

481.25577

217.3

[M+K]+

502.18511

209.7

[M+H-H2O]+

446.21921

198.0

[M+HCOO]-

508.22015

230.4

[M+CH3COO]-

522.23580

244.1

[M+Na-2H]-

484.19662

210.2

[M]+

463.22140

211.5

[M]-

463.22250

211.5

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

81820-08-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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