PubChemLite - Sb58 (C24H28N8)

Structural Information

Molecular Formula

SMILES

CC(C)N=C(C1=CC2=C(C=C1)N=C(N2)/C=C\C3=NC4=C(N3)C=C(C=C4)C(=NC(C)C)N)N

InChI

InChI=1S/C24H28N8/c1-13(2)27-23(25)15-5-7-17-19(11-15)31-21(29-17)9-10-22-30-18-8-6-16(12-20(18)32-22)24(26)28-14(3)4/h5-14H,1-4H3,(H2,25,27)(H2,26,28)(H,29,31)(H,30,32)/b10-9-

InChIKey

QHDYUEBLZSTDOP-KTKRTIGZSA-N

Compound name

N'-propan-2-yl-2-[(Z)-2-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]ethenyl]-3H-benzimidazole-5-carboximidamide

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]+	429.25096	204.7
[M+Na]+	451.23290	210.9
[M-H]-	427.23640	209.3
[M+NH4]+	446.27750	213.4
[M+K]+	467.20684	203.9
[M+H-H2O]+	411.24094	194.6
[M+HCOO]-	473.24188	224.0
[M+CH3COO]-	487.25753	212.0
[M+Na-2H]-	449.21835	204.4
[M]+	428.24313	204.3
[M]-	428.24423	204.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.25096

204.7

[M+Na]+

451.23290

210.9

[M-H]-

427.23640

209.3

[M+NH4]+

446.27750

213.4

[M+K]+

467.20684

203.9

[M+H-H2O]+

411.24094

194.6

[M+HCOO]-

473.24188

224.0

[M+CH3COO]-

487.25753

212.0

[M+Na-2H]-

449.21835

204.4

[M]+

428.24313

204.3

[M]-

428.24423

204.3

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

Sb58

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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