CID 382529

Nsc670138

Structural Information

Molecular Formula
C22H15NO2
SMILES
C1=CC=C(C=C1)C(=O)ON=C2C3=CC=CC=C3C=CC4=CC=CC=C42
InChI
InChI=1S/C22H15NO2/c24-22(18-10-2-1-3-11-18)25-23-21-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)21/h1-15H
InChIKey
BEWKLHRGXSTHLT-UHFFFAOYSA-N
Compound name
(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1103 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11758 177.1
[M+Na]+ 348.09952 184.8
[M-H]- 324.10302 188.1
[M+NH4]+ 343.14412 192.4
[M+K]+ 364.07346 183.9
[M+H-H2O]+ 308.10756 170.6
[M+HCOO]- 370.10850 201.1
[M+CH3COO]- 384.12415 188.7
[M+Na-2H]- 346.08497 185.4
[M]+ 325.10975 177.2
[M]- 325.11085 177.2
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.