CID 9588194

Brn 2161668

Structural Information

Molecular Formula
C21H21N3O
SMILES
C1=CC=C(C=C1)CCNCC(=O)N/N=C/C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C21H21N3O/c25-21(16-22-13-12-17-6-2-1-3-7-17)24-23-15-18-10-11-19-8-4-5-9-20(19)14-18/h1-11,14-15,22H,12-13,16H2,(H,24,25)/b23-15+
InChIKey
OUZXSSCZEYJHFT-HZHRSRAPSA-N
Compound name
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(2-phenylethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.16846 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.17574 181.6
[M+Na]+ 354.15768 194.4
[M+NH4]+ 349.20228 189.8
[M+K]+ 370.13162 184.5
[M-H]- 330.16118 188.6
[M+Na-2H]- 352.14313 191.1
[M]+ 331.16791 185.3
[M]- 331.16901 185.3
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.