CID 382526

Nsc670135

Structural Information

Molecular Formula
C24H19NO2
SMILES
C1=CC=C(C=C1)C(=O)OCCN=C2C3=CC=CC=C3C=CC4=CC=CC=C42
InChI
InChI=1S/C24H19NO2/c26-24(20-10-2-1-3-11-20)27-17-16-25-23-21-12-6-4-8-18(21)14-15-19-9-5-7-13-22(19)23/h1-15H,16-17H2
InChIKey
YANJNZAJRMMXON-UHFFFAOYSA-N
Compound name
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.14157 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14885 186.2
[M+Na]+ 376.13079 192.9
[M-H]- 352.13429 196.7
[M+NH4]+ 371.17539 200.3
[M+K]+ 392.10473 191.6
[M+H-H2O]+ 336.13883 179.2
[M+HCOO]- 398.13977 209.4
[M+CH3COO]- 412.15542 196.9
[M+Na-2H]- 374.11624 193.3
[M]+ 353.14102 186.8
[M]- 353.14212 186.8
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.