PubChemLite - 177799-16-5 (C42H36N2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=C4C=CC=CC4=C(C5=CC=CC=C53)N(C6=CC=C(C=C6)C)C7=CC=C(C=C7)C

InChI

InChI=1S/C42H36N2/c1-29-13-21-33(22-14-29)43(34-23-15-30(2)16-24-34)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36/h5-28H,1-4H3

InChIKey

FWXNJWAXBVMBGL-UHFFFAOYSA-N

Compound name

9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine

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]+	569.29512	252.5
[M+Na]+	591.27706	275.4
[M+NH4]+	586.32166	263.0
[M+K]+	607.25100	259.3
[M-H]-	567.28056	269.1
[M+Na-2H]-	589.26251	268.5
[M]+	568.28729	261.4
[M]-	568.28839	261.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.29512

252.5

[M+Na]+

591.27706

275.4

[M+NH4]+

586.32166

263.0

[M+K]+

607.25100

259.3

[M-H]-

567.28056

269.1

[M+Na-2H]-

589.26251

268.5

[M]+

568.28729

261.4

[M]-

568.28839

261.4

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

177799-16-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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