PubChemLite - Nuclear yellow (C25H25N7O2S)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)S(=O)(=O)N

InChI

InChI=1S/C25H25N7O2S/c1-31-10-12-32(13-11-31)18-5-9-21-23(15-18)30-25(28-21)17-4-8-20-22(14-17)29-24(27-20)16-2-6-19(7-3-16)35(26,33)34/h2-9,14-15H,10-13H2,1H3,(H,27,29)(H,28,30)(H2,26,33,34)

InChIKey

CSUDUNKPOSIFJZ-UHFFFAOYSA-N

Compound name

4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzenesulfonamide

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]+	488.18633	213.4
[M+Na]+	510.16827	223.7
[M-H]-	486.17177	219.7
[M+NH4]+	505.21287	217.1
[M+K]+	526.14221	213.7
[M+H-H2O]+	470.17631	204.1
[M+HCOO]-	532.17725	220.5
[M+CH3COO]-	546.19290	219.7
[M+Na-2H]-	508.15372	213.4
[M]+	487.17850	213.1
[M]-	487.17960	213.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

488.18633

213.4

[M+Na]+

510.16827

223.7

[M-H]-

486.17177

219.7

[M+NH4]+

505.21287

217.1

[M+K]+

526.14221

213.7

[M+H-H2O]+

470.17631

204.1

[M+HCOO]-

532.17725

220.5

[M+CH3COO]-

546.19290

219.7

[M+Na-2H]-

508.15372

213.4

[M]+

487.17850

213.1

[M]-

487.17960

213.1

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

Nuclear yellow

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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