CID 3108457

4-tert-butyl-n-(4-(phenyldiazenyl)phenyl)benzamide

Structural Information

Molecular Formula
C23H23N3O
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3
InChI
InChI=1S/C23H23N3O/c1-23(2,3)18-11-9-17(10-12-18)22(27)24-19-13-15-21(16-14-19)26-25-20-7-5-4-6-8-20/h4-16H,1-3H3,(H,24,27)
InChIKey
AKXXNSONRCGXAU-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(4-phenyldiazenylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1841 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.19138 187.9
[M+Na]+ 380.17332 192.8
[M-H]- 356.17682 199.8
[M+NH4]+ 375.21792 200.5
[M+K]+ 396.14726 188.4
[M+H-H2O]+ 340.18136 177.3
[M+HCOO]- 402.18230 214.4
[M+CH3COO]- 416.19795 226.7
[M+Na-2H]- 378.15877 194.0
[M]+ 357.18355 188.4
[M]- 357.18465 188.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.