CID 9574270

4phnphcon2 4clp

Structural Information

Molecular Formula
C20H16ClN3O
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H16ClN3O/c21-17-10-6-15(7-11-17)14-22-24-20(25)16-8-12-19(13-9-16)23-18-4-2-1-3-5-18/h1-14,23H,(H,24,25)/b22-14+
InChIKey
IELKXMLXVIVJBG-HYARGMPZSA-N
Compound name
4-anilino-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.09818 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10546 182.2
[M+Na]+ 372.08740 188.3
[M-H]- 348.09090 192.6
[M+NH4]+ 367.13200 195.1
[M+K]+ 388.06134 181.4
[M+H-H2O]+ 332.09544 172.6
[M+HCOO]- 394.09638 205.3
[M+CH3COO]- 408.11203 219.2
[M+Na-2H]- 370.07285 188.0
[M]+ 349.09763 183.0
[M]- 349.09873 183.0
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.