PubChemLite - 80546-37-8 (C34H26Cl2N4O2)

Structural Information

Molecular Formula

SMILES

CCN1C2=C(C=C(C=C2)NC3=C(C(=O)C(=C(C3=O)Cl)NC4=CC5=C(C=C4)N(C6=CC=CC=C65)CC)Cl)C7=CC=CC=C71

InChI

InChI=1S/C34H26Cl2N4O2/c1-3-39-25-11-7-5-9-21(25)23-17-19(13-15-27(23)39)37-31-29(35)34(42)32(30(36)33(31)41)38-20-14-16-28-24(18-20)22-10-6-8-12-26(22)40(28)4-2/h5-18,37-38H,3-4H2,1-2H3

InChIKey

DHECGOHCLGQNQD-UHFFFAOYSA-N

Compound name

2,5-dichloro-3,6-bis[(9-ethylcarbazol-3-yl)amino]cyclohexa-2,5-diene-1,4-dione

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]+	593.15058	248.3
[M+Na]+	615.13252	269.4
[M+NH4]+	610.17712	256.9
[M+K]+	631.10646	258.9
[M-H]-	591.13602	257.8
[M+Na-2H]-	613.11797	255.4
[M]+	592.14275	255.1
[M]-	592.14385	255.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

593.15058

248.3

[M+Na]+

615.13252

269.4

[M+NH4]+

610.17712

256.9

[M+K]+

631.10646

258.9

[M-H]-

591.13602

257.8

[M+Na-2H]-

613.11797

255.4

[M]+

592.14275

255.1

[M]-

592.14385

255.1

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

80546-37-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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