CID 9588186

Brn 2171688

Structural Information

Molecular Formula
C21H20ClN3O
SMILES
C1=CC=C(C=C1)CCNCC(=O)N/N=C/C2=CC=C(C3=CC=CC=C23)Cl
InChI
InChI=1S/C21H20ClN3O/c22-20-11-10-17(18-8-4-5-9-19(18)20)14-24-25-21(26)15-23-13-12-16-6-2-1-3-7-16/h1-11,14,23H,12-13,15H2,(H,25,26)/b24-14+
InChIKey
MEGPTEMKKISODL-ZVHZXABRSA-N
Compound name
N-[(E)-(4-chloronaphthalen-1-yl)methylideneamino]-2-(2-phenylethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1295 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.13678 186.4
[M+Na]+ 388.11872 192.1
[M-H]- 364.12222 194.2
[M+NH4]+ 383.16332 200.1
[M+K]+ 404.09266 185.1
[M+H-H2O]+ 348.12676 177.3
[M+HCOO]- 410.12770 207.7
[M+CH3COO]- 424.14335 223.9
[M+Na-2H]- 386.10417 192.5
[M]+ 365.12895 188.9
[M]- 365.13005 188.9
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.