PubChemLite - Zk-806450 (C31H31N5O)

Structural Information

Molecular Formula

SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C4=CC=CC=C4N3CC5=CC6=C(C=C5)C=CC(=C6)C(=N)N

InChI

InChI=1S/C31H31N5O/c1-20(32)35-14-12-25(13-15-35)37-26-10-11-28-27-4-2-3-5-29(27)36(30(28)18-26)19-21-6-7-22-8-9-23(31(33)34)17-24(22)16-21/h2-11,16-18,25,32H,12-15,19H2,1H3,(H3,33,34)

InChIKey

DZLGSWPXZYDHBD-UHFFFAOYSA-N

Compound name

7-[[2-(1-ethanimidoylpiperidin-4-yl)oxycarbazol-9-yl]methyl]naphthalene-2-carboximidamide

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]+	490.26015	216.3
[M+Na]+	512.24209	221.3
[M-H]-	488.24559	225.0
[M+NH4]+	507.28669	223.6
[M+K]+	528.21603	212.6
[M+H-H2O]+	472.25013	204.1
[M+HCOO]-	534.25107	232.1
[M+CH3COO]-	548.26672	222.5
[M+Na-2H]-	510.22754	217.8
[M]+	489.25232	213.2
[M]-	489.25342	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

490.26015

216.3

[M+Na]+

512.24209

221.3

[M-H]-

488.24559

225.0

[M+NH4]+

507.28669

223.6

[M+K]+

528.21603

212.6

[M+H-H2O]+

472.25013

204.1

[M+HCOO]-

534.25107

232.1

[M+CH3COO]-

548.26672

222.5

[M+Na-2H]-

510.22754

217.8

[M]+

489.25232

213.2

[M]-

489.25342

213.2

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

Zk-806450

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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