CID 135411347

Vu0029767

Structural Information

Molecular Formula
C21H21N3O3
SMILES
CCOC1=CC=C(C=C1)NCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C21H21N3O3/c1-2-27-17-10-8-16(9-11-17)22-14-21(26)24-23-13-19-18-6-4-3-5-15(18)7-12-20(19)25/h3-13,22,25H,2,14H2,1H3,(H,24,26)/b23-13+
InChIKey
JWRJGCUSLSJMMD-YDZHTSKRSA-N
Compound name
2-(4-ethoxyanilino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.1583 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16558 184.1
[M+Na]+ 386.14752 189.0
[M-H]- 362.15102 191.2
[M+NH4]+ 381.19212 196.3
[M+K]+ 402.12146 184.5
[M+H-H2O]+ 346.15556 174.3
[M+HCOO]- 408.15650 208.7
[M+CH3COO]- 422.17215 223.7
[M+Na-2H]- 384.13297 189.9
[M]+ 363.15775 185.4
[M]- 363.15885 185.4
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.