CID 3492757

Cbdive_011190

Structural Information

Molecular Formula
C21H17N3O
SMILES
C1=CC=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3
InChI
InChI=1S/C21H17N3O/c25-21(16-11-17-7-3-1-4-8-17)22-18-12-14-20(15-13-18)24-23-19-9-5-2-6-10-19/h1-16H,(H,22,25)
InChIKey
DHYCVNULLGWOSW-UHFFFAOYSA-N
Compound name
3-phenyl-N-(4-phenyldiazenylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.13718 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14446 177.5
[M+Na]+ 350.12640 182.1
[M-H]- 326.12990 189.0
[M+NH4]+ 345.17100 190.7
[M+K]+ 366.10034 176.9
[M+H-H2O]+ 310.13444 166.5
[M+HCOO]- 372.13538 206.4
[M+CH3COO]- 386.15103 218.5
[M+Na-2H]- 348.11185 184.5
[M]+ 327.13663 176.6
[M]- 327.13773 176.6
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.