CID 382527

Nsc670136

Structural Information

Molecular Formula
C24H18N2O4
SMILES
C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=NCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C24H18N2O4/c27-24(19-11-13-20(14-12-19)26(28)29)30-16-15-25-23-21-7-3-1-5-17(21)9-10-18-6-2-4-8-22(18)23/h1-14H,15-16H2
InChIKey
IKVOFYHGMOYWBB-UHFFFAOYSA-N
Compound name
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl 4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.12665 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13393 198.3
[M+Na]+ 421.11587 203.2
[M-H]- 397.11937 208.8
[M+NH4]+ 416.16047 209.4
[M+K]+ 437.08981 199.7
[M+H-H2O]+ 381.12391 194.5
[M+HCOO]- 443.12485 221.9
[M+CH3COO]- 457.14050 220.8
[M+Na-2H]- 419.10132 205.7
[M]+ 398.12610 197.9
[M]- 398.12720 197.9
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.