2061376-83-6 (C36H28N4)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C)C4=C(C=C(C=C4)C5=NC(=NC(=N5)C6=CC=CC=C6)C7=CC=CC=C7)C

InChI

InChI=1S/C36H28N4/c1-23-14-17-32-29(20-23)30-21-24(2)15-18-33(30)40(32)31-19-16-28(22-25(31)3)36-38-34(26-10-6-4-7-11-26)37-35(39-36)27-12-8-5-9-13-27/h4-22H,1-3H3

InChIKey

XGSZTASBPZRHTF-UHFFFAOYSA-N

Compound name

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,6-dimethylcarbazole

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]+	517.238676	238.3
[M+Na]+	539.220618	248.3
[M-H]-	515.224124	250.4
[M+NH4]+	534.265223	241.2
[M+K]+	555.194558	235.8
[M+H-H2O]+	499.228660	221.5
[M+HCOO]-	561.229601	252.7
[M+CH3COO]-	575.245251	244.4
[M+Na-2H]-	537.206066	237.4
[M]+	516.23085142	239.4
[M]-	516.23194858	239.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

517.238676

238.3

[M+Na]+

539.220618

248.3

[M-H]-

515.224124

250.4

[M+NH4]+

534.265223

241.2

[M+K]+

555.194558

235.8

[M+H-H2O]+

499.228660

221.5

[M+HCOO]-

561.229601

252.7

[M+CH3COO]-

575.245251

244.4

[M+Na-2H]-

537.206066

237.4

[M]+

516.23085142

239.4

[M]-

516.23194858

239.4

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

2061376-83-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe