CID 382533

Nsc670142

Structural Information

Molecular Formula
C19H17NO3
SMILES
CCOC(=O)CON=C1C2=CC=CC=C2C=CC3=CC=CC=C31
InChI
InChI=1S/C19H17NO3/c1-2-22-18(21)13-23-20-19-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)19/h3-12H,2,13H2,1H3
InChIKey
KDHPMNDDZWMTEF-UHFFFAOYSA-N
Compound name
ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.12085 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 168.9
[M+Na]+ 330.11007 176.2
[M-H]- 306.11357 177.0
[M+NH4]+ 325.15467 185.4
[M+K]+ 346.08401 177.2
[M+H-H2O]+ 290.11811 163.1
[M+HCOO]- 352.11905 193.0
[M+CH3COO]- 366.13470 210.1
[M+Na-2H]- 328.09552 176.8
[M]+ 307.12030 172.0
[M]- 307.12140 172.0
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.