PubChemLite - Nsc215581 (C18H18N4O5)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)/C=N/NC(=O)COCC(=O)N/N=C/C2=CC=CC=C2O)O

InChI

InChI=1S/C18H18N4O5/c23-15-7-3-1-5-13(15)9-19-21-17(25)11-27-12-18(26)22-20-10-14-6-2-4-8-16(14)24/h1-10,23-24H,11-12H2,(H,21,25)(H,22,26)/b19-9+,20-10+

InChIKey

BNRBVNZWXAPGCL-LQGKIZFRSA-N

Compound name

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide

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]+	371.13500	182.7
[M+Na]+	393.11694	185.9
[M-H]-	369.12044	189.0
[M+NH4]+	388.16154	192.8
[M+K]+	409.09088	183.4
[M+H-H2O]+	353.12498	172.5
[M+HCOO]-	415.12592	209.4
[M+CH3COO]-	429.14157	223.9
[M+Na-2H]-	391.10239	187.0
[M]+	370.12717	183.7
[M]-	370.12827	183.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

371.13500

182.7

[M+Na]+

393.11694

185.9

[M-H]-

369.12044

189.0

[M+NH4]+

388.16154

192.8

[M+K]+

409.09088

183.4

[M+H-H2O]+

353.12498

172.5

[M+HCOO]-

415.12592

209.4

[M+CH3COO]-

429.14157

223.9

[M+Na-2H]-

391.10239

187.0

[M]+

370.12717

183.7

[M]-

370.12827

183.7

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

Nsc215581

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe