PubChemLite - Dtxsid101015299 (C23H28N4O4)

Structural Information

Molecular Formula

SMILES

CC/C(=N/OC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)O/N=C(/CC)\C)/C

InChI

InChI=1S/C23H28N4O4/c1-5-16(3)26-30-22(28)24-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)25-23(29)31-27-17(4)6-2/h7-14H,5-6,15H2,1-4H3,(H,24,28)(H,25,29)/b26-16+,27-17+

InChIKey

DRZWGRAUXYXXLT-CTVDDJEBSA-N

Compound name

[(E)-butan-2-ylideneamino] N-[4-[[4-[[(E)-butan-2-ylideneamino]oxycarbonylamino]phenyl]methyl]phenyl]carbamate

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]+	425.21834	205.7
[M+Na]+	447.20028	207.3
[M-H]-	423.20378	214.0
[M+NH4]+	442.24488	215.1
[M+K]+	463.17422	206.0
[M+H-H2O]+	407.20832	194.7
[M+HCOO]-	469.20926	231.5
[M+CH3COO]-	483.22491	241.2
[M+Na-2H]-	445.18573	205.6
[M]+	424.21051	209.3
[M]-	424.21161	209.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.21834

205.7

[M+Na]+

447.20028

207.3

[M-H]-

423.20378

214.0

[M+NH4]+

442.24488

215.1

[M+K]+

463.17422

206.0

[M+H-H2O]+

407.20832

194.7

[M+HCOO]-

469.20926

231.5

[M+CH3COO]-

483.22491

241.2

[M+Na-2H]-

445.18573

205.6

[M]+

424.21051

209.3

[M]-

424.21161

209.3

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

Dtxsid101015299

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe