478393-30-5 (C27H23ClN2O4)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3C=C2O)OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H23ClN2O4/c1-2-33-26-13-19(9-12-25(26)34-17-18-7-10-22(28)11-8-18)16-29-30-27(32)23-14-20-5-3-4-6-21(20)15-24(23)31/h3-16,31H,2,17H2,1H3,(H,30,32)/b29-16+

InChIKey

LZSCPCGTAIVYGP-MUFRIFMGSA-N

Compound name

N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-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]+	475.141916	214.2
[M+Na]+	497.123858	220.7
[M-H]-	473.127364	224.2
[M+NH4]+	492.168463	222.8
[M+K]+	513.097798	214.2
[M+H-H2O]+	457.131900	203.3
[M+HCOO]-	519.132841	232.3
[M+CH3COO]-	533.148491	240.3
[M+Na-2H]-	495.109306	216.7
[M]+	474.13409142	220.2
[M]-	474.13518858	220.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.141916

214.2

[M+Na]+

497.123858

220.7

[M-H]-

473.127364

224.2

[M+NH4]+

492.168463

222.8

[M+K]+

513.097798

214.2

[M+H-H2O]+

457.131900

203.3

[M+HCOO]-

519.132841

232.3

[M+CH3COO]-

533.148491

240.3

[M+Na-2H]-

495.109306

216.7

[M]+

474.13409142

220.2

[M]-

474.13518858

220.2

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

478393-30-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe