PubChemLite - Schembl3363023 (C30H24N4S)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)C3=CC=C(S3)C4=CC=C(C=C4)N=C(C5=CC=CC=C5)N)N

InChI

InChI=1S/C30H24N4S/c31-29(23-7-3-1-4-8-23)33-25-15-11-21(12-16-25)27-19-20-28(35-27)22-13-17-26(18-14-22)34-30(32)24-9-5-2-6-10-24/h1-20H,(H2,31,33)(H2,32,34)

InChIKey

LFHYQNRCMKCNQJ-UHFFFAOYSA-N

Compound name

N'-[4-[5-[4-[[amino(phenyl)methylidene]amino]phenyl]thiophen-2-yl]phenyl]benzenecarboximidamide

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]+	473.17946	213.6
[M+Na]+	495.16140	217.8
[M-H]-	471.16490	229.9
[M+NH4]+	490.20600	222.0
[M+K]+	511.13534	209.5
[M+H-H2O]+	455.16944	202.1
[M+HCOO]-	517.17038	236.0
[M+CH3COO]-	531.18603	221.6
[M+Na-2H]-	493.14685	213.4
[M]+	472.17163	211.2
[M]-	472.17273	211.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.17946

213.6

[M+Na]+

495.16140

217.8

[M-H]-

471.16490

229.9

[M+NH4]+

490.20600

222.0

[M+K]+

511.13534

209.5

[M+H-H2O]+

455.16944

202.1

[M+HCOO]-

517.17038

236.0

[M+CH3COO]-

531.18603

221.6

[M+Na-2H]-

493.14685

213.4

[M]+

472.17163

211.2

[M]-

472.17273

211.2

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

Schembl3363023

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe