PubChemLite - 101502-01-6 (C22H28N6O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)CNC(=O)CCNNC(=O)C(=O)NNCCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H28N6O4/c29-19(23-15-17-7-3-1-4-8-17)11-13-25-27-21(31)22(32)28-26-14-12-20(30)24-16-18-9-5-2-6-10-18/h1-10,25-26H,11-16H2,(H,23,29)(H,24,30)(H,27,31)(H,28,32)

InChIKey

VVSRWRWIBRDYPQ-UHFFFAOYSA-N

Compound name

N-benzyl-3-[2-[2-[2-[3-(benzylamino)-3-oxopropyl]hydrazinyl]-2-oxoacetyl]hydrazinyl]propanamide

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]+	441.22448	200.6
[M+Na]+	463.20642	198.1
[M-H]-	439.20992	205.4
[M+NH4]+	458.25102	206.5
[M+K]+	479.18036	196.2
[M+H-H2O]+	423.21446	189.1
[M+HCOO]-	485.21540	225.8
[M+CH3COO]-	499.23105	243.0
[M+Na-2H]-	461.19187	203.4
[M]+	440.21665	198.0
[M]-	440.21775	198.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.22448

200.6

[M+Na]+

463.20642

198.1

[M-H]-

439.20992

205.4

[M+NH4]+

458.25102

206.5

[M+K]+

479.18036

196.2

[M+H-H2O]+

423.21446

189.1

[M+HCOO]-

485.21540

225.8

[M+CH3COO]-

499.23105

243.0

[M+Na-2H]-

461.19187

203.4

[M]+

440.21665

198.0

[M]-

440.21775

198.0

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

101502-01-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe