PubChemLite - Brn 2825969 (C41H30N2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(=C=NC2=CC=C(C=C2)CC3=CC=C(C=C3)N=C=C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C41H30N2/c1-5-13-34(14-6-1)40(35-15-7-2-8-16-35)30-42-38-25-21-32(22-26-38)29-33-23-27-39(28-24-33)43-31-41(36-17-9-3-10-18-36)37-19-11-4-12-20-37/h1-28H,29H2

InChIKey

XPNGPCRFZKPRTO-UHFFFAOYSA-N

Compound name

N-[4-[[4-(2,2-diphenylethenylideneamino)phenyl]methyl]phenyl]-2,2-diphenylethenimine

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]+	551.24818	242.9
[M+Na]+	573.23012	243.4
[M-H]-	549.23362	259.3
[M+NH4]+	568.27472	244.4
[M+K]+	589.20406	232.6
[M+H-H2O]+	533.23816	226.3
[M+HCOO]-	595.23910	264.2
[M+CH3COO]-	609.25475	247.2
[M+Na-2H]-	571.21557	243.2
[M]+	550.24035	237.2
[M]-	550.24145	237.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

551.24818

242.9

[M+Na]+

573.23012

243.4

[M-H]-

549.23362

259.3

[M+NH4]+

568.27472

244.4

[M+K]+

589.20406

232.6

[M+H-H2O]+

533.23816

226.3

[M+HCOO]-

595.23910

264.2

[M+CH3COO]-

609.25475

247.2

[M+Na-2H]-

571.21557

243.2

[M]+

550.24035

237.2

[M]-

550.24145

237.2

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

Brn 2825969

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe