PubChemLite - Dl-2-benzamido-5-guanidino-n-2-naphthylvaleramide hydrochloride (C23H25N5O2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H25N5O2/c24-23(25)26-14-6-11-20(28-21(29)17-8-2-1-3-9-17)22(30)27-19-13-12-16-7-4-5-10-18(16)15-19/h1-5,7-10,12-13,15,20H,6,11,14H2,(H,27,30)(H,28,29)(H4,24,25,26)

InChIKey

DEFAKPKFXYITPZ-UHFFFAOYSA-N

Compound name

N-[5-(diaminomethylideneamino)-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]benzamide

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]+	404.20812	194.5
[M+Na]+	426.19006	195.0
[M-H]-	402.19356	200.9
[M+NH4]+	421.23466	203.7
[M+K]+	442.16400	191.4
[M+H-H2O]+	386.19810	184.1
[M+HCOO]-	448.19904	217.7
[M+CH3COO]-	462.21469	238.3
[M+Na-2H]-	424.17551	197.1
[M]+	403.20029	190.4
[M]-	403.20139	190.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

404.20812

194.5

[M+Na]+

426.19006

195.0

[M-H]-

402.19356

200.9

[M+NH4]+

421.23466

203.7

[M+K]+

442.16400

191.4

[M+H-H2O]+

386.19810

184.1

[M+HCOO]-

448.19904

217.7

[M+CH3COO]-

462.21469

238.3

[M+Na-2H]-

424.17551

197.1

[M]+

403.20029

190.4

[M]-

403.20139

190.4

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

Dl-2-benzamido-5-guanidino-n-2-naphthylvaleramide hydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe