CID 135411347

326001-01-8

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

2
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

literature stripe

Patent stripe

patents stripe