PubChemLite - H2dcbpb (C26H28Cl2N4O2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=NC=C1)C(=O)NC2=CC(=C(C=C2NC(=O)C3=NC=CC(=C3)C(C)(C)C)Cl)Cl

InChI

InChI=1S/C26H28Cl2N4O2/c1-25(2,3)15-7-9-29-21(11-15)23(33)31-19-13-17(27)18(28)14-20(19)32-24(34)22-12-16(8-10-30-22)26(4,5)6/h7-14H,1-6H3,(H,31,33)(H,32,34)

InChIKey

GGYQAPZYZYAKEF-UHFFFAOYSA-N

Compound name

4-tert-butyl-N-[2-[(4-tert-butylpyridine-2-carbonyl)amino]-4,5-dichlorophenyl]pyridine-2-carboxamide

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]+	499.16622	221.3
[M+Na]+	521.14816	228.2
[M-H]-	497.15166	228.1
[M+NH4]+	516.19276	226.8
[M+K]+	537.12210	221.2
[M+H-H2O]+	481.15620	211.4
[M+HCOO]-	543.15714	228.1
[M+CH3COO]-	557.17279	244.4
[M+Na-2H]-	519.13361	221.8
[M]+	498.15839	226.2
[M]-	498.15949	226.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

499.16622

221.3

[M+Na]+

521.14816

228.2

[M-H]-

497.15166

228.1

[M+NH4]+

516.19276

226.8

[M+K]+

537.12210

221.2

[M+H-H2O]+

481.15620

211.4

[M+HCOO]-

543.15714

228.1

[M+CH3COO]-

557.17279

244.4

[M+Na-2H]-

519.13361

221.8

[M]+

498.15839

226.2

[M]-

498.15949

226.2

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

H2dcbpb

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe