62608-15-5 (C38H32N2)

Structural Information

Molecular Formula

SMILES

CCN1C2=CC=CC=C2C3=C1C=CC(=C3)/C=C/C4=CC=C(C=C4)/C=C/C5=CC6=C(N(C7=CC=CC=C67)CC)C=C5

InChI

InChI=1S/C38H32N2/c1-3-39-35-11-7-5-9-31(35)33-25-29(21-23-37(33)39)19-17-27-13-15-28(16-14-27)18-20-30-22-24-38-34(26-30)32-10-6-8-12-36(32)40(38)4-2/h5-26H,3-4H2,1-2H3/b19-17+,20-18+

InChIKey

JQXNAJZMEBHUMC-XPWSMXQVSA-N

Compound name

9-ethyl-3-[(E)-2-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazole

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]+	517.263806	238.7
[M+Na]+	539.245748	249.6
[M-H]-	515.249254	250.1
[M+NH4]+	534.290353	249.2
[M+K]+	555.219688	236.5
[M+H-H2O]+	499.253790	225.7
[M+HCOO]-	561.254731	256.8
[M+CH3COO]-	575.270381	246.2
[M+Na-2H]-	537.231196	236.8
[M]+	516.25598142	244.3
[M]-	516.25707858	244.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

517.263806

238.7

[M+Na]+

539.245748

249.6

[M-H]-

515.249254

250.1

[M+NH4]+

534.290353

249.2

[M+K]+

555.219688

236.5

[M+H-H2O]+

499.253790

225.7

[M+HCOO]-

561.254731

256.8

[M+CH3COO]-

575.270381

246.2

[M+Na-2H]-

537.231196

236.8

[M]+

516.25598142

244.3

[M]-

516.25707858

244.3

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

62608-15-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe