CID 9588184

Brn 2161662

Structural Information

Molecular Formula
C21H21N3O
SMILES
C1=CC=C(C=C1)CCNCC(=O)N/N=C/C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H21N3O/c25-21(16-22-14-13-17-7-2-1-3-8-17)24-23-15-19-11-6-10-18-9-4-5-12-20(18)19/h1-12,15,22H,13-14,16H2,(H,24,25)/b23-15+
InChIKey
MMCSRTKGPDTDBM-HZHRSRAPSA-N
Compound name
N-[(E)-naphthalen-1-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 177.2
[M+Na]+ 354.15768 181.1
[M-H]- 330.16118 184.8
[M+NH4]+ 349.20228 191.0
[M+K]+ 370.13162 175.7
[M+H-H2O]+ 314.16572 167.2
[M+HCOO]- 376.16666 203.0
[M+CH3COO]- 390.18231 219.2
[M+Na-2H]- 352.14313 184.7
[M]+ 331.16791 176.7
[M]- 331.16901 176.7
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.