PubChemLite - Nsc686357 (C25H26N6O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=NC2=C1C=C(C=C2)OC)N/N=C/C(=N\NC3=NC4=C(C=C(C=C4)OC)C(=C3)C)/C

InChI

InChI=1S/C25H26N6O2/c1-15-10-24(27-22-8-6-18(32-4)12-20(15)22)30-26-14-17(3)29-31-25-11-16(2)21-13-19(33-5)7-9-23(21)28-25/h6-14H,1-5H3,(H,27,30)(H,28,31)/b26-14+,29-17-

InChIKey

VPNZSDZFAAISSE-HEKGTUIGSA-N

Compound name

6-methoxy-N-[(E)-[(2Z)-2-[(6-methoxy-4-methylquinolin-2-yl)hydrazinylidene]propylidene]amino]-4-methylquinolin-2-amine

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]+	443.21901	209.5
[M+Na]+	465.20095	217.4
[M-H]-	441.20445	218.2
[M+NH4]+	460.24555	218.3
[M+K]+	481.17489	212.0
[M+H-H2O]+	425.20899	196.7
[M+HCOO]-	487.20993	234.4
[M+CH3COO]-	501.22558	249.5
[M+Na-2H]-	463.18640	216.9
[M]+	442.21118	215.8
[M]-	442.21228	215.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.21901

209.5

[M+Na]+

465.20095

217.4

[M-H]-

441.20445

218.2

[M+NH4]+

460.24555

218.3

[M+K]+

481.17489

212.0

[M+H-H2O]+

425.20899

196.7

[M+HCOO]-

487.20993

234.4

[M+CH3COO]-

501.22558

249.5

[M+Na-2H]-

463.18640

216.9

[M]+

442.21118

215.8

[M]-

442.21228

215.8

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

Nsc686357

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe